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EVODEX.1-P5446

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33]>>[H][N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33]

Derived Operators

EVODEX.1-F143 - Elemental Balance

O-1
C-6
H-10

EVODEX.1-M114 - Mass Difference

-98.0732

EVODEX.1-E800 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:8](-[#6:9])-[H:21])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#7:8](-[#6:9])(-[H:21])-[H]

EVODEX.1-C517 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N653 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8](-[#6:9])-[H:21]>>[H]-[#7:8](-[#6:9])-[H:21]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6195

Full Reaction Rendering

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

EVODEX.1-R6207

Full Reaction Rendering

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