EVODEX.1-P5369 - Partial Reaction

SMIRKS

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:60]([C@@:61]([C:62]([C:63]([C:64]([N:65]([C:66](=[N:67][H:149])[N:68]([H:150])[H:151])[H:152])([H:153])[H:154])([H:155])[H:156])([H:157])[H:158])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([C:74]1:[C:75]([H:159]):[N:76]:[C:77]([H:160]):[N:78]:1[H:161])([H:162])[H:163])([C:79](=[O:80])[N:81]([C@@:82]([C:83]([C:84]1:[C:85]([H:164]):[N:86]:[C:87]([H:165]):[N:88]:1[H:166])([H:167])[H:168])([C:89](=[O:90])[N:91]([C:92]([C:93](=[O:94])[O:95][H:169])([H:170])[H:171])[H:172])[H:173])[H:174])[H:175])[H:176])[H:177])[H:178])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:60]([C@@:61]([C:62]([C:63]([C:64]([N:65]([C:66](=[N:67][H:149])[N:68]([H:150])[H:151])[H:152])([H:153])[H:154])([H:155])[H:156])([H:157])[H:158])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([C:74]1:[C:75]([H:159]):[N:76]:[C:77]([H:160]):[N:78]:1[H:161])([H:162])[H:163])([C:79](=[O:80])[N:81]([C@@:82]([C:83]([C:84]1:[C:85]([H:164]):[N:86]:[C:87]([H:165]):[N:88]:1[H:166])([H:167])[H:168])([C:89](=[O:90])[N:91]([C:92]([C:93](=[O:94])[O:95][H:169])([H:170])[H:171])[H:172])[H:173])[H:174])[H:175])[H:176])[H:177])[H:178]

Derived Operators

EVODEX.1-F493 - Elemental Balance

O	-9
C	-38
N	-12
H	-62

EVODEX.1-M467 - Mass Difference

-830.4767599999999

EVODEX.1-E1312 - Reaction Operator E

[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#7:60](-[#6@@:61])-[H:198])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#7:60](-[#6@@:61])(-[H:198])-[H]

EVODEX.1-C669 - Reaction Operator C

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:60])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#7]-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:60]

EVODEX.1-N826 - Reaction Operator N

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:60](-[#6@@:61])-[H:190])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#7]-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:60](-[#6@@:61])-[H:190]

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-R6119

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