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EVODEX.1-P2544

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:33]([C:32]([C:31]([C:30]([C:29]([N:28]([C:26](=[N:25][H:70])[N:27]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]>>[H]N([H])C([H])([H])C([H])([H])C([H])([H])[N:33]([C:32]([C:31]([C:30]([C:29]([N:28]([C:26](=[N:25][H:70])[N:27]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]

Derived Operators

EVODEX.1-F145 - Elemental Balance

C3
N1
H7

EVODEX.1-M249 - Mass Difference

57.05791000000001

EVODEX.1-E803 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:25](-[#6:26])(-[H:76])-[H]>>[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7:25](-[#6:26])-[H:76])(-[H])-[H]

EVODEX.1-C396 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:34]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7:34]

EVODEX.1-N474 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:34](-[#6:33])-[H:58]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7:34](-[#6:33])-[H:58]

EVODEX.1-Em102 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm135 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

Source Full Reactions

EVODEX.1-R3288

Full Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C:5]([N:6]([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[C:7]([C@@:8]1([H:42])[O:9][C@:10]([N:11]2:[C:12]([H:43]):[N:13]:[C:14]3:[C:15]([N:16]([H:44])[H:45]):[N:17]:[C:18]([H:46]):[N:19]:[C:20]:2:3)([H:47])[C@@:21]([O:22][H:48])([H:49])[C@@:23]1([O:24][H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[H][N:33]([C:32]([C:31]([C:30]([C:29]([N:28]([C:26](=[N:25][H:70])[N:27]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]>>[C:3]([C:4]([C:5]([N:6]([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([N:33]([C:32]([C:31]([C:30]([C:29]([N:28]([C:26](=[N:25][H:70])[N:27]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59])([H:40])[H:41].[C:1]([S:2][C:7]([C@@:8]1([H:42])[O:9][C@:10]([N:11]2:[C:12]([H:43]):[N:13]:[C:14]3:[C:15]([N:16]([H:44])[H:45]):[N:17]:[C:18]([H:46]):[N:19]:[C:20]:2:3)([H:47])[C@@:21]([O:22][H:48])([H:49])[C@@:23]1([O:24][H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[HH]