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EVODEX.1-P1273

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:16]([C@@:15]([C:14]([C:13]1:[C:12]([H:55]):[N:11]([H:54]):[C:10]2:[C:9]([H:53]):[C:8]([H:52]):[C:7]([H:51]):[C:6]([C:5]([C:4](=[C:2]([C:1]([H:65])([H:66])[H:67])[C:3]([H:48])([H:49])[H:50])[H:64])([H:62])[H:63]):[C:20]:2:1)([H:60])[H:61])([C:17](=[O:18])[O:19][H:58])[H:59])[H:56]>>[H]C([H])([H])[N:16]([C@@:15]([C:14]([C:13]1:[C:12]([H:55]):[N:11]([H:54]):[C:10]2:[C:9]([H:53]):[C:8]([H:52]):[C:7]([H:51]):[C:6]([C:5]([C:4](=[C:2]([C:1]([H:65])([H:66])[H:67])[C:3]([H:48])([H:49])[H:50])[H:64])([H:62])[H:63]):[C:20]:2:1)([H:60])[H:61])([C:17](=[O:18])[O:19][H:58])[H:59])[H:56]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E624 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:28](-[#6:29])(-[H:66])-[H]>>[#6](-[#7:28](-[#6:29])-[H:66])(-[H])(-[H])-[H]

EVODEX.1-C157 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N98 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:28](-[#6:29])-[H:72]>>[H]-[#6](-[H])(-[H])-[#7:28](-[#6:29])-[H:72]

EVODEX.1-Em150 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:28]-[#6:29]>>[H]-[#6](-[H])(-[H])-[#7:28]-[#6:29]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm177 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:28]-[#6:29]>>[H]-[#6](-[H])(-[H])-[#7:28]-[#6:29]

Source Full Reactions

EVODEX.1-R1466

Full Reaction Rendering

[H][N:16]([C@@:15]([C:14]([C:13]1:[C:12]([H:55]):[N:11]([H:54]):[C:10]2:[C:9]([H:53]):[C:8]([H:52]):[C:7]([H:51]):[C:6]([C:5]([C:4](=[C:2]([C:1]([H:65])([H:66])[H:67])[C:3]([H:48])([H:49])[H:50])[H:64])([H:62])[H:63]):[C:20]:2:1)([H:60])[H:61])([C:17](=[O:18])[O:19][H:58])[H:59])[H:56].[C:21]([S+:22]([C:23]([C:24]([C@:25]([N:26]([H:68])[H:69])([C:27](=[O:28])[O:29][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[C:30]([C@@:31]1([H:76])[O:32][C@:33]([N:34]2:[C:35]([H:77]):[N:36]:[C:37]3:[C:38]([N:39]([H:78])[H:79]):[N:40]:[C:41]([H:80]):[N:42]:[C:43]:2:3)([H:81])[C@@:44]([O:45][H:82])([H:83])[C@@:46]1([O:47][H:84])[H:85])([H:86])[H:87])([H:88])([H:89])[H:90]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])=[C:4]([C:5]([C:6]1:[C:7]([H:51]):[C:8]([H:52]):[C:9]([H:53]):[C:10]2:[N:11]([H:54]):[C:12]([H:55]):[C:13]([C:14]([C@:15]([N:16]([C:21]([H:88])([H:89])[H:90])[H:56])([C:17](=[O:18])[O:19][H:58])[H:59])([H:60])[H:61]):[C:20]:1:2)([H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[HH].[S:22]([C:23]([C:24]([C@:25]([N:26]([H:68])[H:69])([C:27](=[O:28])[O:29][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[C:30]([C@@:31]1([H:76])[O:32][C@:33]([N:34]2:[C:35]([H:77]):[N:36]:[C:37]3:[C:38]([N:39]([H:78])[H:79]):[N:40]:[C:41]([H:80]):[N:42]:[C:43]:2:3)([H:81])[C@@:44]([O:45][H:82])([H:83])[C@@:46]1([O:47][H:84])[H:85])([H:86])[H:87]