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EVODEX.1-P1147

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:62]):[C:6]([H:63]):[C:7]([Cl:8]):[C:9]([H:64]):[C:10]:2[C:11]1([C:12]([H:65])([H:66])[H:67])[C:13]([H:68])([H:69])[H:70])([H:71])([H:72])[H:73]>>[H][C@:2]1([C:1]([H:71])([H:72])[H:73])[N:3]([H])[C:4]2:[C:5]([H:62]):[C:6]([H:63]):[C:7]([Cl:8]):[C:9]([H:64]):[C:10]:2[C:11]1([C:12]([H:65])([H:66])[H:67])[C:13]([H:68])([H:69])[H:70]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E16 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#7:14]=[#6:12](-[#6:9])-[#6:13]>>[#6:6]-[#7:14](-[#6@@:12](-[#6:9])(-[#6:13])-[H])-[H]

EVODEX.1-C247 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]=[#7:3]>>[H]-[#6@:2]-[#7:3]-[H]

EVODEX.1-N257 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#7:3]-[#6:4])-[#6:11]>>[H]-[#6@:2](-[#6:1])(-[#7:3](-[H])-[#6:4])-[#6:11]

EVODEX.1-Em378 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#7:3]-[#6:4])-[#6:11]>>[H]-[#6:2](-[#6:1])(-[#7:3](-[H])-[#6:4])-[#6:11]

EVODEX.1-Cm223 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]=[#7:3]>>[H]-[#6:2]-[#7:3]-[H]

EVODEX.1-Nm338 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#7:3]-[#6:4])-[#6:11]>>[H]-[#6:2](-[#6:1])(-[#7:3](-[H])-[#6:4])-[#6:11]

Source Full Reactions

EVODEX.1-R1081

Full Reaction Rendering

[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:62]):[C:6]([H:63]):[C:7]([Cl:8]):[C:9]([H:64]):[C:10]:2[C:11]1([C:12]([H:65])([H:66])[H:67])[C:13]([H:68])([H:69])[H:70])([H:71])([H:72])[H:73].[HH].[H][C:61]1([H:100])[C:17]([C:15]([N:14]([H:102])[H:103])=[O:16])=[C:18]([H:74])[N:19]([C@:20]2([H:75])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:76])[O:28][P:29](=[O:30])([O:31][H:77])[O:32][C:33]([C@@:34]3([H:78])[O:35][C@:36]([N:37]4:[C:38]([H:79]):[N:39]:[C:40]5:[C:41]([N:42]([H:80])[H:81]):[N:43]:[C:44]([H:82]):[N:45]:[C:46]:4:5)([H:83])[C@@:47]([O:48][P:49](=[O:50])([O:51][H:84])[O:52][H:85])([H:86])[C@@:53]3([O:54][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:55]([O:56][H:94])([H:95])[C@:57]2([O:58][H:96])[H:97])[C:59]([H:98])=[C:60]1[H:99]>>[H][C@:2]1([C:1]([H:71])([H:72])[H:73])[N:3]([H])[C:4]2:[C:5]([H:62]):[C:6]([H:63]):[C:7]([Cl:8]):[C:9]([H:64]):[C:10]:2[C:11]1([C:12]([H:65])([H:66])[H:67])[C:13]([H:68])([H:69])[H:70].[N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:74]):[N+:19]([C@:20]2([H:75])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:76])[O:28][P:29](=[O:30])([O:31][H:77])[O:32][C:33]([C@@:34]3([H:78])[O:35][C@:36]([N:37]4:[C:38]([H:79]):[N:39]:[C:40]5:[C:41]([N:42]([H:80])[H:81]):[N:43]:[C:44]([H:82]):[N:45]:[C:46]:4:5)([H:83])[C@@:47]([O:48][P:49](=[O:50])([O:51][H:84])[O:52][H:85])([H:86])[C@@:53]3([O:54][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:55]([O:56][H:94])([H:95])[C@:57]2([O:58][H:96])[H:97]):[C:59]([H:98]):[C:60]([H:99]):[C:61]:1[H:100])([H:102])[H:103]