EVODEX.1-P5331 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]([H])(C(=O)[N:24]([C@:19]([C:17]([N:16]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:197])([H:198])[H:199])([H:195])[H:196])([H:193])[H:194])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C@@:64]([C:65]([C:66]([S:67][C:68]([H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([C:74]([C:75]([N:76]([C:77](=[N:78][H:158])[N:79]([H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([C:80](=[O:81])[N:82]([C@@:83]([C:84]([C:85]([C:86]([N:87]([C:88](=[N:89][H:168])[N:90]([H:169])[H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([C:91](=[O:92])[O:93][H:178])[H:179])[H:180])[H:181])[H:182])[H:183])[H:184])([C@@:94]([C:95]([H:185])([H:186])[H:187])([O:96][H:188])[H:189])[H:190])[H:191])[H:192])[H:150])=[O:8])([C:10]([C:11]1:[C:12]([H:98]):[N:13]:[C:14]([H:99]):[N:15]:1[H:100])([H:101])[H:102])[H:149])[H:148])=[O:18])([C:20]([C:21]([C:22]([H:103])([H:104])[H:105])([C:23]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])[H:147])[H:146])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]2([H])N([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:24]([C@:19]([C:17]([N:16]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:197])([H:198])[H:199])([H:195])[H:196])([H:193])[H:194])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C@@:64]([C:65]([C:66]([S:67][C:68]([H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([C:74]([C:75]([N:76]([C:77](=[N:78][H:158])[N:79]([H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([C:80](=[O:81])[N:82]([C@@:83]([C:84]([C:85]([C:86]([N:87]([C:88](=[N:89][H:168])[N:90]([H:169])[H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([C:91](=[O:92])[O:93][H:178])[H:179])[H:180])[H:181])[H:182])[H:183])[H:184])([C@@:94]([C:95]([H:185])([H:186])[H:187])([O:96][H:188])[H:189])[H:190])[H:191])[H:192])[H:150])=[O:8])([C:10]([C:11]1:[C:12]([H:98]):[N:13]:[C:14]([H:99]):[N:15]:1[H:100])([H:101])[H:102])[H:149])[H:148])=[O:18])([C:20]([C:21]([C:22]([H:103])([H:104])[H:105])([C:23]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])[H:147])[H:146]

Derived Operators

EVODEX.1-F509 - Elemental Balance

O	-6
C	-21
N	-5
H	-33

EVODEX.1-M482 - Mass Difference

-451.24329000000006

EVODEX.1-E1327 - Reaction Operator E

[#7:24](-[#6@:19])(-[#6](=[#8])-[#6@](-[#6](-[#8]-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H:146]>>[#7:24](-[#6@:19])(-[H:146])-[H]

EVODEX.1-C666 - Reaction Operator C

[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:24])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6](=[#8])-[#6@@]2(-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-2(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:24]

EVODEX.1-N823 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:24](-[#6@:19])-[H:146])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6](=[#8])-[#6@@]2(-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-2(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:24](-[#6@:19])-[H:146]

EVODEX.1-Em1 - Reaction Operator Em

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

EVODEX.1-Cm1 - Reaction Operator Cm

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

Source Full Reactions

EVODEX.1-R6085

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:98]):[N:13]:[C:14]([H:99]):[N:15]:1[H:100])([H:101])[H:102])([N:16]([C:17](=[O:18])[C@:19]([C:20]([C:21]([C:22]([H:103])([H:104])[H:105])([C:23]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([N:24]([C:25](=[O:26])[C@:27]([C:28]([O:29][H:112])([H:113])[H:114])([N:30]([C:31](=[O:32])[C@@:33]([N:34]([C:35](=[O:36])[C@:37]([C:38]([H:115])([H:116])[H:117])([N:39]([C:40](=[O:41])[C@:42]1([H:118])[C:43]([H:119])([H:120])[C:44]([H:121])([H:122])[C:45]([H:123])([H:124])[N:46]1[C:47](=[O:48])[C@:49]1([H:125])[C:50]([H:126])([H:127])[C:51]([H:128])([H:129])[C:52]([H:130])([H:131])[N:53]1[H:132])[H:133])[H:134])[H:135])([C:54]([C:55]([H:136])([H:137])[H:138])([C:56]([H:139])([H:140])[H:141])[H:142])[H:143])[H:144])[H:145])[H:146])[H:147])[H:148])[H:149])[H:150])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C@@:64]([C:65]([C:66]([S:67][C:68]([H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([C:74]([C:75]([N:76]([C:77](=[N:78][H:158])[N:79]([H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([C:80](=[O:81])[N:82]([C@@:83]([C:84]([C:85]([C:86]([N:87]([C:88](=[N:89][H:168])[N:90]([H:169])[H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([C:91](=[O:92])[O:93][H:178])[H:179])[H:180])[H:181])[H:182])[H:183])[H:184])([C@@:94]([C:95]([H:185])([H:186])[H:187])([O:96][H:188])[H:189])[H:190])[H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])([H:198])[H:199].[H][O:97][H:200]>>[C:25](=[O:26])([C@:27]([C:28]([O:29][H:112])([H:113])[H:114])([N:30]([C:31](=[O:32])[C@@:33]([N:34]([C:35](=[O:36])[C@:37]([C:38]([H:115])([H:116])[H:117])([N:39]([C:40](=[O:41])[C@:42]1([H:118])[C:43]([H:119])([H:120])[C:44]([H:121])([H:122])[C:45]([H:123])([H:124])[N:46]1[C:47](=[O:48])[C@:49]1([H:125])[C:50]([H:126])([H:127])[C:51]([H:128])([H:129])[C:52]([H:130])([H:131])[N:53]1[H:132])[H:133])[H:134])[H:135])([C:54]([C:55]([H:136])([H:137])[H:138])([C:56]([H:139])([H:140])[H:141])[H:142])[H:143])[H:144])[H:145])[O:97][H:200].[H][N:24]([C@:19]([C:17]([N:16]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:197])([H:198])[H:199])([H:195])[H:196])([H:193])[H:194])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C@@:64]([C:65]([C:66]([S:67][C:68]([H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([C:74]([C:75]([N:76]([C:77](=[N:78][H:158])[N:79]([H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([C:80](=[O:81])[N:82]([C@@:83]([C:84]([C:85]([C:86]([N:87]([C:88](=[N:89][H:168])[N:90]([H:169])[H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([C:91](=[O:92])[O:93][H:178])[H:179])[H:180])[H:181])[H:182])[H:183])[H:184])([C@@:94]([C:95]([H:185])([H:186])[H:187])([O:96][H:188])[H:189])[H:190])[H:191])[H:192])[H:150])=[O:8])([C:10]([C:11]1:[C:12]([H:98]):[N:13]:[C:14]([H:99]):[N:15]:1[H:100])([H:101])[H:102])[H:149])[H:148])=[O:18])([C:20]([C:21]([C:22]([H:103])([H:104])[H:105])([C:23]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])[H:147])[H:146]