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EVODEX.1-P2716

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:55])([H:56])[H:57])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:58])([H:59])[H:60])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:61])[O:20][P:21](=[O:22])([O:23][H:62])[O:24][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][S:39][C:38]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:105])([H:106])[H:107])([C:27]([H:80])([H:81])[H:82])[H:104])([C:43](=[O:44])[N:45]([C@@:46]([C:47]([O:48][H:97])([H:98])[H:99])([C:49](=[O:50])[O:51][H:100])[H:101])[H:102])[H:103])[H:96])=[O:31])([C@@:40]([C:41]([H:90])([H:91])[H:92])([O:42][H:93])[H:94])[H:95])[H:89])=[O:35])([N:37]([H:83])[H:84])[H:88])([H:86])[H:87]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:55])([H:56])[H:57])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:58])([H:59])[H:60])=[C:14]([C:15]([S:39][C:38]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:105])([H:106])[H:107])([C:27]([H:80])([H:81])[H:82])[H:104])([C:43](=[O:44])[N:45]([C@@:46]([C:47]([O:48][H:97])([H:98])[H:99])([C:49](=[O:50])[O:51][H:100])[H:101])[H:102])[H:103])[H:96])=[O:31])([C@@:40]([C:41]([H:90])([H:91])[H:92])([O:42][H:93])[H:94])[H:95])[H:89])=[O:35])([N:37]([H:83])[H:84])[H:88])([H:86])[H:87])([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][O:16][P:17](=[O:18])([O:19][H:61])[O:20][P:21](=[O:22])([O:23][H:62])[O:24][H:63]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E90 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:73])-[H:74].([#6:33]-[#6@:34](-[#7:35]-[#6:36]-[#6@@:38](-[#7:39])(-[#6:46])-[H:111])(-[#6:49])-[H:119].[#6:44]-[#16:45]-[H])>>([#6:19]-[#6:20](-[#16:45]-[#6:44])(-[H:73])-[H:74].[#7:39]-[#6@:38](-[#6:36]-[#7:35]-[#6@@:34](-[#6:33])(-[#6:49])-[H:119])(-[#6:46])-[H:111]).[#8:21](-[#15:22])-[H]

EVODEX.1-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N4 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:90])-[H:91].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20](-[#16:44]-[#6:43])(-[H:90])-[H:91].[H]-[#8:21]-[#15:22]

EVODEX.1-Em37 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm41 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

Source Full Reactions

EVODEX.1-R3441

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:55])([H:56])[H:57])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:58])([H:59])[H:60])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:61])[O:20][P:21](=[O:22])([O:23][H:62])[O:24][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][S:39][C:38]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:105])([H:106])[H:107])([C:27]([H:80])([H:81])[H:82])[H:104])([C:43](=[O:44])[N:45]([C@@:46]([C:47]([O:48][H:97])([H:98])[H:99])([C:49](=[O:50])[O:51][H:100])[H:101])[H:102])[H:103])[H:96])=[O:31])([C@@:40]([C:41]([H:90])([H:91])[H:92])([O:42][H:93])[H:94])[H:95])[H:89])=[O:35])([N:37]([H:83])[H:84])[H:88])([H:86])[H:87]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:55])([H:56])[H:57])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:58])([H:59])[H:60])=[C:14]([C:15]([S:39][C:38]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:105])([H:106])[H:107])([C:27]([H:80])([H:81])[H:82])[H:104])([C:43](=[O:44])[N:45]([C@@:46]([C:47]([O:48][H:97])([H:98])[H:99])([C:49](=[O:50])[O:51][H:100])[H:101])[H:102])[H:103])[H:96])=[O:31])([C@@:40]([C:41]([H:90])([H:91])[H:92])([O:42][H:93])[H:94])[H:95])[H:89])=[O:35])([N:37]([H:83])[H:84])[H:88])([H:86])[H:87])([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][O:16][P:17](=[O:18])([O:19][H:61])[O:20][P:21](=[O:22])([O:23][H:62])[O:24][H:63]