EVODEX.1-P4421

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E258 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7]-[#6@:8](-[#8:9]-[#6@:10](-[H:30])(-[#8:11])-[#6@:19])(-[H:41])-[#6@@:21].[#8:28](-[H:53])-[H]>>[#8:7]-[#6@:8](-[#8:28]-[H:53])(-[H:41])-[#6@@:21].[#8:9](-[#6:10](-[H:30])(-[#8:11])-[#6@:19])-[H]

EVODEX.1-C37 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]

EVODEX.1-N1127 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6@@:4](-[#8:5]-[#6@:6](-[H:39])(-[#8:7])-[#6@:15])(-[H:50])-[#8:17].[H]-[#8:38]-[H:71]>>[#6:3]-[#6@@:4](-[#8:38]-[H:71])(-[H:50])-[#8:17].[H]-[#8:5]-[#6:6](-[H:39])(-[#8:7])-[#6@:15]

EVODEX.1-Em32 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

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-Nm33 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

Source Full Reactions

EVODEX.1-R5257

Full Reaction Rendering

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