EVODEX.1-P5966

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:41])[C@@:6]([O:7][H:42])([H:43])[C@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:44])[O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]2([H:46])[O:21][C@:22]([N:23]3:[C:24]([H:47]):[N:25]:[C:26]4:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:3:4)([H:51])[C@@:33]([O:34][H:52])([H:53])[C@@:35]2([O:36][H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[O:37][C@:38]1([O:39][H:61])[H:62])([H:63])([H:64])[H:65].[H][O:40][H:66]>>[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:41])[C@@:6]([O:7][H:42])([H:43])[C@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:44])[O:40][H:66])([H:58])[H:59])([H:60])[O:37][C@:38]1([O:39][H:61])[H:62])([H:63])([H:64])[H:65].[H][O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]1([H:46])[O:21][C@:22]([N:23]2:[C:24]([H:47]):[N:25]:[C:26]3:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:2:3)([H:51])[C@@:33]([O:34][H:52])([H:53])[C@@:35]1([O:36][H:54])[H:55])([H:56])[H:57]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E73 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]-[#15:38].[#8:42](-[H:66])-[H]>>[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:42]-[H:66].[#8:37](-[#15:38])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N883 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:17]-[#15:18].[H]-[#8:56]-[H:85]>>[#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:56]-[H:85].[H]-[#8:17]-[#15:18]

EVODEX.1-Em123 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm157 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

Source Full Reactions

EVODEX.1-R6612

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:41])[C@@:6]([O:7][H:42])([H:43])[C@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:44])[O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]2([H:46])[O:21][C@:22]([N:23]3:[C:24]([H:47]):[N:25]:[C:26]4:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:3:4)([H:51])[C@@:33]([O:34][H:52])([H:53])[C@@:35]2([O:36][H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[O:37][C@:38]1([O:39][H:61])[H:62])([H:63])([H:64])[H:65].[H][O:40][H:66]>>[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:41])[C@@:6]([O:7][H:42])([H:43])[C@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:44])[O:40][H:66])([H:58])[H:59])([H:60])[O:37][C@:38]1([O:39][H:61])[H:62])([H:63])([H:64])[H:65].[H][O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]1([H:46])[O:21][C@:22]([N:23]2:[C:24]([H:47]):[N:25]:[C:26]3:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:2:3)([H:51])[C@@:33]([O:34][H:52])([H:53])[C@@:35]1([O:36][H:54])[H:55])([H:56])[H:57]