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EVODEX.1-P1145

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:61]):[C:6]([H:62]):[C:7]([C:8]([F:9])([F:10])[F:11]):[C:12]([H:63]):[C:13]:2[C:14]1([C:15]([H:64])([H:65])[H:66])[C:16]([H:67])([H:68])[H:69])([H:70])([H:71])[H:72]>>[H][C@:2]1([C:1]([H:70])([H:71])[H:72])[N:3]([H])[C:4]2:[C:5]([H:61]):[C:6]([H:62]):[C:7]([C:8]([F:9])([F:10])[F:11]):[C:12]([H:63]):[C:13]:2[C:14]1([C:15]([H:64])([H:65])[H:66])[C:16]([H:67])([H:68])[H:69]

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-R1079

Full Reaction Rendering

[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:61]):[C:6]([H:62]):[C:7]([C:8]([F:9])([F:10])[F:11]):[C:12]([H:63]):[C:13]:2[C:14]1([C:15]([H:64])([H:65])[H:66])[C:16]([H:67])([H:68])[H:69])([H:70])([H:71])[H:72].[HH].[H][C:60]1([H:98])[C:20]([C:18]([N:17]([H:100])[H:101])=[O:19])=[C:21]([H:73])[N:22]([C@:23]2([H:74])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:75])[O:31][P:32](=[O:33])([O:34][H:76])[O:35][C:36]([C@@:37]3([H:77])[O:38][C@:39]([N:40]4:[C:41]([H:78]):[N:42]:[C:43]5:[C:44]([N:45]([H:79])[H:80]):[N:46]:[C:47]([H:81]):[N:48]:[C:49]:4:5)([H:82])[C@@:50]([O:51][H:83])([H:84])[C@@:52]3([O:53][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[C@:54]([O:55][H:92])([H:93])[C@:56]2([O:57][H:94])[H:95])[C:58]([H:96])=[C:59]1[H:97]>>[H][C@:2]1([C:1]([H:70])([H:71])[H:72])[N:3]([H])[C:4]2:[C:5]([H:61]):[C:6]([H:62]):[C:7]([C:8]([F:9])([F:10])[F:11]):[C:12]([H:63]):[C:13]:2[C:14]1([C:15]([H:64])([H:65])[H:66])[C:16]([H:67])([H:68])[H:69].[N:17]([C:18](=[O:19])[C:20]1:[C:21]([H:73]):[N+:22]([C@:23]2([H:74])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:75])[O:31][P:32](=[O:33])([O:34][H:76])[O:35][C:36]([C@@:37]3([H:77])[O:38][C@:39]([N:40]4:[C:41]([H:78]):[N:42]:[C:43]5:[C:44]([N:45]([H:79])[H:80]):[N:46]:[C:47]([H:81]):[N:48]:[C:49]:4:5)([H:82])[C@@:50]([O:51][H:83])([H:84])[C@@:52]3([O:53][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[C@:54]([O:55][H:92])([H:93])[C@:56]2([O:57][H:94])[H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]:1[H:98])([H:100])[H:101]