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EVODEX.1-P4712

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([C:14](=[O:15])[N:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([C:23]1:[C:24]([H:40]):[C:25]([H:41]):[C:26]([H:42]):[C:27]([H:43]):[C:28]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59]>>[H]C([H])([H])O[C:14]([C@:7]([C:6]([C:5]([S:4][C:3]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])[H:52])=[O:15].[H][N:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([C:23]1:[C:24]([H:40]):[C:25]([H:41]):[C:26]([H:42]):[C:27]([H:43]):[C:28]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51]

Derived Operators

EVODEX.1-F348 - Elemental Balance

O1
C1
H4

EVODEX.1-M353 - Mass Difference

32.02622

EVODEX.1-E1138 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#7:3](-[#6:4](=[#8:5])-[#6:6])-[H:20]>>[#6:4](=[#8:5])(-[#6:6])-[#8]-[#6](-[H])(-[H])-[H].[#6:2]-[#7:3](-[H:20])-[H]

EVODEX.1-C914 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:4]-[#7:12]>>[H]-[#6](-[H])(-[H])-[#8]-[#6:4].[H]-[#7:12]

EVODEX.1-N1144 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]=[#6:4](-[#6:5])-[#7:12](-[#6@@:13])-[H:44]>>[H]-[#6](-[H])(-[H])-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:44]

EVODEX.1-Em70 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:4]-[#6:5]>>[H]-[#7:4].[#8]-[#6:5]

EVODEX.1-Nm84 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]

Source Full Reactions

EVODEX.1-R5530

Full Reaction Rendering

[H][O:2][C:1]([H:30])([H:31])[H:32].[C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([C:14](=[O:15])[N:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([C:23]1:[C:24]([H:40]):[C:25]([H:41]):[C:26]([H:42]):[C:27]([H:43]):[C:28]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59]>>[C:1]([O:2][C:14]([C@:7]([C:6]([C:5]([S:4][C:3]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])[H:52])=[O:15])([H:30])([H:31])[H:32].[H][N:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([C:23]1:[C:24]([H:40]):[C:25]([H:41]):[C:26]([H:42]):[C:27]([H:43]):[C:28]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51]