EVODEX.1-P3851

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R4711

Full Reaction Rendering

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