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EVODEX.1-P1143

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:2]1([C:1]([H:63])([H:64])[H:65])[C:3]([H:56])([H:57])[C:4]([H:58])([H:59])[C:5]([H:60])([H:61])[N:6]1[H]>>[C:1]([C:2]1=[N:6][C:5]([H:60])([H:61])[C:4]([H:58])([H:59])[C:3]1([H:56])[H:57])([H:63])([H:64])[H:65]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E54 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6@:2](-[H])(-[#6:3])-[#7:6](-[#6:5])-[H]>>[#6:1]-[#6:2](=[#7:6]-[#6:5])-[#6:3]

EVODEX.1-C217 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:2]-[#7:6]-[H]>>[#6:2]=[#7:6]

EVODEX.1-N194 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:2](-[#6:1])(-[#6:3])-[#7:6](-[#6:5])-[H]>>[#6:1]-[#6:2](=[#7:6]-[#6:5])-[#6:3]

EVODEX.1-Em276 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#6:1])(-[#6:3])-[#7:6](-[#6:5])-[H]>>[#6:1]-[#6:2](=[#7:6]-[#6:5])-[#6:3]

EVODEX.1-Cm195 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2]-[#7:6]-[H]>>[#6:2]=[#7:6]

EVODEX.1-Nm274 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#6:1])(-[#6:3])-[#7:6](-[#6:5])-[H]>>[#6:1]-[#6:2](=[#7:6]-[#6:5])-[#6:3]

Source Full Reactions

EVODEX.1-R1077

Full Reaction Rendering

[H][C@@:2]1([C:1]([H:63])([H:64])[H:65])[C:3]([H:56])([H:57])[C:4]([H:58])([H:59])[C:5]([H:60])([H:61])[N:6]1[H].[N:7]([C:8](=[O:9])[C:10]1:[C:11]([H:66]):[C:12]([H:67]):[C:13]([H:68]):[N+:14]([C@:15]2([H:69])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:70])[O:23][P:24](=[O:25])([O:26][H:71])[O:27][C:28]([C@@:29]3([H:72])[O:30][C@:31]([N:32]4:[C:33]([H:73]):[N:34]:[C:35]5:[C:36]([N:37]([H:74])[H:75]):[N:38]:[C:39]([H:76]):[N:40]:[C:41]:4:5)([H:77])[C@@:42]([O:43][P:44](=[O:45])([O:46][H:78])[O:47][H:79])([H:80])[C@@:48]3([O:49][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:50]([O:51][H:88])([H:89])[C@:52]2([O:53][H:90])[H:91]):[C:54]:1[H:92])([H:93])[H:94]>>[C:1]([C:2]1=[N:6][C:5]([H:60])([H:61])[C:4]([H:58])([H:59])[C:3]1([H:56])[H:57])([H:63])([H:64])[H:65].[HH].[H][C:11]1([H:66])[C:10]([C:8]([N:7]([H:93])[H:94])=[O:9])=[C:54]([H:92])[N:14]([C@:15]2([H:69])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:70])[O:23][P:24](=[O:25])([O:26][H:71])[O:27][C:28]([C@@:29]3([H:72])[O:30][C@:31]([N:32]4:[C:33]([H:73]):[N:34]:[C:35]5:[C:36]([N:37]([H:74])[H:75]):[N:38]:[C:39]([H:76]):[N:40]:[C:41]:4:5)([H:77])[C@@:42]([O:43][P:44](=[O:45])([O:46][H:78])[O:47][H:79])([H:80])[C@@:48]3([O:49][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:50]([O:51][H:88])([H:89])[C@:52]2([O:53][H:90])[H:91])[C:13]([H:68])=[C:12]1[H:67]