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EVODEX.1-P2711

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:59])([H:60])[H:61])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:62])([H:63])[H:64])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][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][S:40][C:39]([C@@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:114])([H:115])[H:116])([C:27]([H:84])([H:85])[H:86])[H:113])([H:111])[H:112])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50]([N:51]([H:101])[H:102])=[O:52])([H:103])[H:104])([H:105])[H:106])([C:53](=[O:54])[O:55][H:107])[H:108])[H:109])[H:110])[H:100])=[O:32])([C@@:41]([C:42]([H:94])([H:95])[H:96])([O:43][H:97])[H:98])[H:99])[H:93])=[O:36])([N:38]([H:87])[H:88])[H:92])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:59])([H:60])[H:61])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:62])([H:63])[H:64])=[C:14]([C:15]([S:40][C:39]([C@@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:114])([H:115])[H:116])([C:27]([H:84])([H:85])[H:86])[H:113])([H:111])[H:112])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50]([N:51]([H:101])[H:102])=[O:52])([H:103])[H:104])([H:105])[H:106])([C:53](=[O:54])[O:55][H:107])[H:108])[H:109])[H:110])[H:100])=[O:32])([C@@:41]([C:42]([H:94])([H:95])[H:96])([O:43][H:97])[H:98])[H:99])[H:93])=[O:36])([N:38]([H:87])[H:88])[H:92])([H:90])[H:91])([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][O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][H:67]

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-R3437

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:59])([H:60])[H:61])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:62])([H:63])[H:64])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][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][S:40][C:39]([C@@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:114])([H:115])[H:116])([C:27]([H:84])([H:85])[H:86])[H:113])([H:111])[H:112])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50]([N:51]([H:101])[H:102])=[O:52])([H:103])[H:104])([H:105])[H:106])([C:53](=[O:54])[O:55][H:107])[H:108])[H:109])[H:110])[H:100])=[O:32])([C@@:41]([C:42]([H:94])([H:95])[H:96])([O:43][H:97])[H:98])[H:99])[H:93])=[O:36])([N:38]([H:87])[H:88])[H:92])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:59])([H:60])[H:61])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:62])([H:63])[H:64])=[C:14]([C:15]([S:40][C:39]([C@@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:114])([H:115])[H:116])([C:27]([H:84])([H:85])[H:86])[H:113])([H:111])[H:112])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50]([N:51]([H:101])[H:102])=[O:52])([H:103])[H:104])([H:105])[H:106])([C:53](=[O:54])[O:55][H:107])[H:108])[H:109])[H:110])[H:100])=[O:32])([C@@:41]([C:42]([H:94])([H:95])[H:96])([O:43][H:97])[H:98])[H:99])[H:93])=[O:36])([N:38]([H:87])[H:88])[H:92])([H:90])[H:91])([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][O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][H:67]