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EVODEX.1-P5819

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17](=[O:18])[O:19][H:43])([H:44])[H:45])([C:20](=[O:21])[N:22]1[C:23]([H:46])([H:47])[C:24]([H:48])([H:49])[C:25]([H:50])([H:51])[C@:26]1([C:27](=[O:28])[N:29]1[C:30]([H:52])([H:53])[C:31]([H:54])([H:55])[C:32]([H:56])([H:57])[C@:33]1([C:34](=[O:35])[O:36][H:58])[H:59])[H:60])[H:61])[H:62])([H:63])[H:64])[H:65])N([H])[H]>>[H][N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17](=[O:18])[O:19][H:43])([H:44])[H:45])([C:20](=[O:21])[N:22]1[C:23]([H:46])([H:47])[C:24]([H:48])([H:49])[C:25]([H:50])([H:51])[C@:26]1([C:27](=[O:28])[N:29]1[C:30]([H:52])([H:53])[C:31]([H:54])([H:55])[C:32]([H:56])([H:57])[C@:33]1([C:34](=[O:35])[O:36][H:58])[H:59])[H:60])[H:61])[H:62])([H:63])[H:64])[H:65]

Derived Operators

EVODEX.1-F221 - Elemental Balance

O-3
C-5
N-1
H-7

EVODEX.1-M73 - Mass Difference

-129.04261

EVODEX.1-E933 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:7](-[#6@:6])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])-[H])-[H:28]>>[#7:7](-[#6@:6])(-[H:28])-[H]

EVODEX.1-C578 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:10])-[#7](-[H])-[H]>>[H]-[#7:10]

EVODEX.1-N734 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:10](-[#6:11])-[H:65])-[#7](-[H])-[H]>>[H]-[#7:10](-[#6:11])-[H:65]

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-R6510

Full Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:38])([H:39])[H:40])([H:41])[H:42])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17](=[O:18])[O:19][H:43])([H:44])[H:45])([C:20](=[O:21])[N:22]1[C:23]([H:46])([H:47])[C:24]([H:48])([H:49])[C:25]([H:50])([H:51])[C@:26]1([C:27](=[O:28])[N:29]1[C:30]([H:52])([H:53])[C:31]([H:54])([H:55])[C:32]([H:56])([H:57])[C@:33]1([C:34](=[O:35])[O:36][H:58])[H:59])[H:60])[H:61])[H:62])([H:63])[H:64])[H:65])[H:66])([H:67])[H:68].[H][O:37][H:69]>>[H][N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17](=[O:18])[O:19][H:43])([H:44])[H:45])([C:20](=[O:21])[N:22]1[C:23]([H:46])([H:47])[C:24]([H:48])([H:49])[C:25]([H:50])([H:51])[C@:26]1([C:27](=[O:28])[N:29]1[C:30]([H:52])([H:53])[C:31]([H:54])([H:55])[C:32]([H:56])([H:57])[C@:33]1([C:34](=[O:35])[O:36][H:58])[H:59])[H:60])[H:61])[H:62])([H:63])[H:64])[H:65].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:38])([H:39])[H:40])([H:41])[H:42])([C:8](=[O:9])[O:37][H:69])[H:66])([H:67])[H:68]