EVODEX.1-P668 - Partial Reaction

SMIRKS

[H][C:52]([C:50]([C:49]([H:139])([H:140])[H:141])([C:51]([H:134])([H:135])[H:136])[H:138])=[O:53]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:52]([C:50]([C:49]([H:139])([H:140])[H:141])([C:51]([H:134])([H:135])[H:136])[H:138])=[O:53])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

Derived Operators

EVODEX.1-F48 - Elemental Balance

P	3
O	16
C	21
S	1
N	7
H	34

EVODEX.1-M100 - Mass Difference

765.0998199999999

EVODEX.1-E535 - Reaction Operator E

[#8:97]=[#6:98](-[#6:99])-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:98](=[#8:97])-[#6:99])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C223 - Reaction Operator C

[H]-[#6:98]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:98])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2

EVODEX.1-N205 - Reaction Operator N

[H]-[#6:98](=[#8:97])-[#6:99]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:98](=[#8:97])-[#6:99])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2

EVODEX.1-Em295 - Reaction Operator Em

[H]-[#6:98](=[#8:97])-[#6:99]>>[#6]-[#16]-[#6:98](=[#8:97])-[#6:99]

EVODEX.1-Cm207 - Reaction Operator Cm

[H]-[#6:98]>>[#16]-[#6:98]

EVODEX.1-Nm291 - Reaction Operator Nm

[H]-[#6:98](=[#8:97])-[#6:99]>>[#6]-[#16]-[#6:98](=[#8:97])-[#6:99]

Source Full Reactions

EVODEX.1-R623

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