EVODEX.1-P4412

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E226 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:13]-[#6@:14](-[#8:15]-[#6:16])(-[#6:22])-[#6:25].[#8:28](-[H:52])-[H]>>[#8:13]-[#6@:14](-[#6:22])(-[#8:28]-[H:52])-[#6:25].[#8:15](-[#6:16])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N1131 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]-[#6@@:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]-[H:75]>>[#8:13]-[#6@@:14](-[#6:36])(-[#8:42]-[H:75])-[#6:39].[H]-[#8:15]-[#6:16]

EVODEX.1-Em633 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm568 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

Source Full Reactions

EVODEX.1-R5249

Full Reaction Rendering

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