EVODEX.1-P4329

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E140 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7](-[#6@@:6](-[#6@:5])(-[H:32])-[#6@@:13])-[#6@:8].[#8:25](-[H:46])-[H]>>[#8:25](-[#6@@:6](-[#6@:5])(-[H:32])-[#6@@:13])-[H:46].[#8:7](-[#6@:8])-[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-N647 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:9](-[#6@:8](-[#6@@:5])(-[H:41])-[#6@@:20])-[#6@:10].[H]-[#8:24]-[H:49]>>[#8:24](-[#6@@:8](-[#6@@:5])(-[H:41])-[#6@@:20])-[H:49].[H]-[#8:9]-[#6@:10]

EVODEX.1-Em119 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:8](-[#8:9]-[#6:10])-[#6:20].[H]-[#8:24]>>[#6:5]-[#6:8](-[#8:24])-[#6:20].[H]-[#8:9]-[#6:10]

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-Nm153 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:8](-[#8:9]-[#6:10])-[#6:20].[H]-[#8:24]>>[#6:5]-[#6:8](-[#8:24])-[#6:20].[H]-[#8:9]-[#6:10]

Source Full Reactions

EVODEX.1-R5174

Full Reaction Rendering

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