EVODEX.1-P4072

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E233 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30].[#8:24](-[H:66])-[H]>>[#6:20](-[#8:21])(-[#6:22])(-[H:30])-[H].[#6:17]-[#6:18](=[#8:19])-[#8:24]-[H:66]

EVODEX.1-C39 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-N641 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[H:28].[H]-[#8:22]-[H:60]>>[H]-[#6:18](-[#8:19])(-[#6:20])-[H:28].[#6:15]-[#6:16](=[#8:17])-[#8:22]-[H:60]

EVODEX.1-Em607 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])-[#6:20].[H]-[#8:22]>>[H]-[#6:18](-[#8:19])-[#6:20].[#6:15]-[#6:16](=[#8:17])-[#8:22]

EVODEX.1-Cm82 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-Nm542 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])-[#6:20].[H]-[#8:22]>>[H]-[#6:18](-[#8:19])-[#6:20].[#6:15]-[#6:16](=[#8:17])-[#8:22]

Source Full Reactions

EVODEX.1-R4916

Full Reaction Rendering

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