EVODEX.1-P4327

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E224 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4])(-[#6:16])-[#6:19].[#8:25](-[H:43])-[H]>>[#6:1]-[#6@:2](-[#6:16])(-[#6:19])-[#8:25]-[H:43].[#8:3](-[#6:4])-[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-N602 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6@@:9](-[#6:10])(-[#8:12]-[#6@:13])-[#6:24].[H]-[#8:31]-[H:59]>>[#6:8]-[#6@@:9](-[#6:10])(-[#8:31]-[H:59])-[#6:24].[H]-[#8:12]-[#6@:13]

EVODEX.1-Em584 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9](-[#6:10])(-[#8:12]-[#6:13])-[#6:24].[H]-[#8:31]>>[#6:8]-[#6:9](-[#6:10])(-[#8:31])-[#6:24].[H]-[#8:12]-[#6:13]

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-Nm524 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9](-[#6:10])(-[#8:12]-[#6:13])-[#6:24].[H]-[#8:31]>>[#6:8]-[#6:9](-[#6:10])(-[#8:31])-[#6:24].[H]-[#8:12]-[#6:13]

Source Full Reactions

EVODEX.1-R5173

Full Reaction Rendering

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