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EVODEX.1-P229

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:74])([H:75])[H:76])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])[H:65])[H:64])([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:45])([H:46])[H:47])([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]OO[C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:74])([H:75])[H:76])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])[H:65])[H:64])[H:62])[H:61])([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:45])([H:46])[H:47])([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]

Derived Operators

EVODEX.1-F64 - Elemental Balance

O2

EVODEX.1-M19 - Mass Difference

31.9898

EVODEX.1-E603 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]=[#6:7]-[#6:8](-[#6:9]=[#6:10](-[#6:11])-[H:56])(-[H:58])-[H]>>[#6:6]=[#6:7]-[#6:8](=[#6:9]-[#6:10](-[#6:11])(-[#8]-[#8]-[H])-[H:56])-[H:58]

EVODEX.1-C199 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:11].[#6:13])>>([H]-[#8]-[#8]-[#6:13].[#6:11])

EVODEX.1-N131 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:11](-[#6:10])(-[#6:12]=[#6:13](-[#6:14])-[H:38])-[H:40]>>[H]-[#8]-[#8]-[#6:13](-[#6:12]=[#6:11](-[#6:10])-[H:40])(-[#6:14])-[H:38]

EVODEX.1-Em214 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:11](-[#6:10]=[#6:9])-[#6:12]=[#6:13]-[#6:14]>>[#8]-[#8]-[#6:13](-[#6:12]=[#6:11]-[#6:10]=[#6:9])-[#6:14]

EVODEX.1-Cm179 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:11].[#6:13])>>([#8]-[#6:13].[#6:11])

EVODEX.1-Nm213 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:11](-[#6:10])-[#6:12]=[#6:13]-[#6:14]>>[#8]-[#8]-[#6:13](-[#6:12]=[#6:11]-[#6:10])-[#6:14]

Source Full Reactions

EVODEX.1-R270

Full Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:74])([H:75])[H:76])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])[H:65])[H:64])([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:45])([H:46])[H:47])([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][C:28]([C:27](=[C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([H:106])([H:107])[H:108])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])[H:97])[H:96])([C:29](=[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38](=[O:39])[O:40][H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94].[O:41]=[O:42].[O:43]=[O:44]>>[H][O:44][O:43][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:74])([H:75])[H:76])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])[H:65])[H:64])[H:62])[H:61])([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:45])([H:46])[H:47])([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][O:41][O:42][C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([H:106])([H:107])[H:108])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([C:27](=[C:28]([C:29](=[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38](=[O:39])[O:40][H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94])[H:96])[H:97]

EVODEX.1-R271

Full Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:52])([H:53])[H:54])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])[H:43])[H:42])([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])[H:39])[H:40].[O:21]=[O:22]>>[H][O:22][O:21][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:52])([H:53])[H:54])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])[H:43])[H:42])[H:40])[H:39])([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38]