EVODEX.1-P4397

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E141 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6](-[#6@@:5])(-[#8:7]-[#6@:8])(-[H:81])-[#8:42].[#8:50](-[H:94])-[H]>>[#6:6](-[#6@@:5])(-[#8:50]-[H:94])(-[H:81])-[#8:42].[#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-N1130 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]-[#6@@:4](-[#8:5]-[#6@@:6])(-[H:32])-[#6@@:15].[H]-[#8:21]-[H:42]>>[#8:3]-[#6@:4](-[#8:21]-[H:42])(-[H:32])-[#6@@:15].[H]-[#8:5]-[#6@@:6]

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-R5235

Full Reaction Rendering

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