EVODEX.1-P2692

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:61])([H:62])[H:63])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:64])([H:65])[H:66])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:67])[O:20][P:21](=[O:22])([O:23][H:68])[O:24][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][S:45][C:44]([C@@:42]([C:40]([N:39]([C@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([C:28]([H:86])([H:87])[H:88])[H:113])([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([N:53]([H:103])[H:104])=[O:54])([H:105])[H:106])([H:107])[H:108])([C:55](=[O:56])[O:57][H:109])[H:110])[H:111])[H:112])[H:102])=[O:32])([C:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([H:92])[H:93])[H:101])[H:100])=[O:41])([N:43]([H:94])[H:95])[H:99])([H:97])[H:98]>>[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:61])([H:62])[H:63])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:64])([H:65])[H:66])=[C:14]([C:15]([S:45][C:44]([C@@:42]([C:40]([N:39]([C@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([C:28]([H:86])([H:87])[H:88])[H:113])([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([N:53]([H:103])[H:104])=[O:54])([H:105])[H:106])([H:107])[H:108])([C:55](=[O:56])[O:57][H:109])[H:110])[H:111])[H:112])[H:102])=[O:32])([C:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([H:92])[H:93])[H:101])[H:100])=[O:41])([N:43]([H:94])[H:95])[H:99])([H:97])[H:98])([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:16][P:17](=[O:18])([O:19][H:67])[O:20][P:21](=[O:22])([O:23][H:68])[O:24][H:69]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E87 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:94])-[H:95].([#6:31]-[#6@:33](-[#7:34])(-[#6:76])-[H:156].[#6:74]-[#16:75]-[H])>>([#6:19]-[#6:20](-[#16:75]-[#6:74])(-[H:94])-[H:95].[#7:34]-[#6@@:33](-[#6:31])(-[#6:76])-[H:156]).[#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-R3419

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:61])([H:62])[H:63])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:64])([H:65])[H:66])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:67])[O:20][P:21](=[O:22])([O:23][H:68])[O:24][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][S:45][C:44]([C@@:42]([C:40]([N:39]([C@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([C:28]([H:86])([H:87])[H:88])[H:113])([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([N:53]([H:103])[H:104])=[O:54])([H:105])[H:106])([H:107])[H:108])([C:55](=[O:56])[O:57][H:109])[H:110])[H:111])[H:112])[H:102])=[O:32])([C:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([H:92])[H:93])[H:101])[H:100])=[O:41])([N:43]([H:94])[H:95])[H:99])([H:97])[H:98]>>[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:61])([H:62])[H:63])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:64])([H:65])[H:66])=[C:14]([C:15]([S:45][C:44]([C@@:42]([C:40]([N:39]([C@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([C:28]([H:86])([H:87])[H:88])[H:113])([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([N:53]([H:103])[H:104])=[O:54])([H:105])[H:106])([H:107])[H:108])([C:55](=[O:56])[O:57][H:109])[H:110])[H:111])[H:112])[H:102])=[O:32])([C:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([H:92])[H:93])[H:101])[H:100])=[O:41])([N:43]([H:94])[H:95])[H:99])([H:97])[H:98])([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:16][P:17](=[O:18])([O:19][H:67])[O:20][P:21](=[O:22])([O:23][H:68])[O:24][H:69]