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EVODEX.1-P4560

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E105 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9]1-[#6@@:8]-[#6@@:10]-1(-[#6:11])-[H:40].[#8:22](-[H:47])-[H]>>[#8:9](-[#6@@:8]-[#6@:10](-[#6:11])(-[#8:22]-[H:47])-[H:40])-[H]

EVODEX.1-C1410 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:18]-[#6:19].[#6@:2].[#6@:11]-[#6@@:21]-[#6@:15]).[H]-[#8:22]>>([H]-[#8:18].[#6:19]-[#8:22].[#6@@:15]-[#6@:21]-[#6@@:11].[#6@@:2])

EVODEX.1-N1792 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6@:2](-[#6:3])(-[#6:8])-[#6@:12]-[#6@:11](-[#6:10])(-[H:32])-[#6@:21]1(-[#6@@:15](-[#6:14])(-[#6:16])-[#6:17]2-[#8:18]-[#6:19]-2(-[H:42])-[#6:20]-1)-[H:45].[H]-[#8:22]-[H:49]>>[H]-[#8:18]-[#6:17]1-[#6@@:15](-[#6:16])(-[#6:14])-[#6@@:21](-[#6@@:11](-[#6@:12]-[#6@@:2](-[#6:1])(-[#6:3])-[#6:8])(-[#6:10])-[H:32])(-[H:45])-[#6:20]-[#6:19]-1(-[#8:22]-[H:49])-[H:42]

EVODEX.1-Em126 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7].[H]-[#8:18]>>([H]-[#8:7].[#6:6]-[#8:18])

EVODEX.1-Nm160 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

Source Full Reactions

EVODEX.1-R5395

Full Reaction Rendering

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