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EVODEX.1-P4400

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E359 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6](-[#6@@:5])(-[#8:7]-[#6@:8])(-[H:81])-[#8:42]>>[#6:6](-[#6@@:5])(-[#8]-[H])(-[H:81])-[#8:42].[#8:7](-[#6@:8])-[H]

EVODEX.1-C167 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:7]-[#6@:6].[#6@@:21]-[#6@@:24]-[#6@@:26])>>([H]-[#8]-[#6@@:6].[#6@:26]-[#6@:24]-[#6@:21]).[H]-[#8:7]

EVODEX.1-N1126 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7](-[#6@@:6]1(-[#6@@:5]-[#6@:26](-[#6@:24](-[#6@:21](-[#8:20]-1)(-[#6:22])-[H:48])(-[#8:25])-[H:50])(-[#8:27])-[H:62])-[H:44])-[#6:8]>>[H]-[#8]-[#6@@:6]1(-[H:44])-[#6@@:5]-[#6@:26](-[#8:27])(-[H:62])-[#6@:24](-[#8:25])(-[H:50])-[#6@:21](-[#6:22])(-[H:48])-[#8:20]-1.[H]-[#8:7]-[#6:8]

EVODEX.1-Em39 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm43 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5238

Full Reaction Rendering

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