EVODEX.1-P1506

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:98])([H:99])[H:100])([C:3]([H:65])([H:66])[H:67])[C:4]([O:5][P:6](=[O:7])([O:8][H:68])[O:9][P:10](=[O:11])([O:12][H:69])[O:13][C:14]([C@@:15]1([H:70])[O:16][C@:17]([N:18]2:[C:19]([H:71]):[N:20]:[C:21]3:[C:22]([N:23]([H:72])[H:73]):[N:24]:[C:25]([H:74]):[N:26]:[C:27]:2:3)([H:75])[C@@:28]([O:29][H:76])([H:77])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:78])[O:35][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([O:37][H:85])[H:97])=[O:39])[H:96])([H:94])[H:95])([H:92])[H:93])=[O:44])[H:91])([H:89])[H:90])([H:87])[H:88].[C:49]([C:50]([C:51]([C:52](=[O:53])[C@:54]([O:55][H:101])([C:56]([C:57](=[O:58])[O:59][H:102])([H:103])[H:104])[C:60]([N+:61]([C:62]([H:105])([H:106])[H:107])([C:63]([H:108])([H:109])[H:110])[C:64]([H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])([H:121])[H:122]>>[H][C@@:54]([O:55][H:101])([C:56]([C:57](=[O:58])[O:59][H:102])([H:103])[H:104])[C:60]([N+:61]([C:62]([H:105])([H:106])[H:107])([C:63]([H:108])([H:109])[H:110])[C:64]([H:111])([H:112])[H:113])([H:114])[H:115].[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])([C:4]([O:5][P:6](=[O:7])([O:8][H:68])[O:9][P:10](=[O:11])([O:12][H:69])[O:13][C:14]([C@@:15]1([H:70])[O:16][C@:17]([N:18]2:[C:19]([H:71]):[N:20]:[C:21]3:[C:22]([N:23]([H:72])[H:73]):[N:24]:[C:25]([H:74]):[N:26]:[C:27]:2:3)([H:75])[C@@:28]([O:29][H:76])([H:77])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:78])[O:35][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[C@@:36]([O:37][H:85])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:52]([C:51]([C:50]([C:49]([H:120])([H:121])[H:122])([H:118])[H:119])([H:116])[H:117])=[O:53])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])[H:97])([H:98])([H:99])[H:100]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E279 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[H].[#6:52]-[#6:53](=[#8:54])-[#6:55](-[#8:56])(-[#6:57])-[#6:61]>>[#6:47]-[#16:48]-[#6:53](-[#6:52])=[#8:54].[#6:55](-[#8:56])(-[#6:57])(-[#6:61])-[H]

EVODEX.1-C86 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-N327 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Em435 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Cm114 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-Nm389 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

Source Full Reactions

EVODEX.1-R2033

Full Reaction Rendering

[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:98])([H:99])[H:100])([C:3]([H:65])([H:66])[H:67])[C:4]([O:5][P:6](=[O:7])([O:8][H:68])[O:9][P:10](=[O:11])([O:12][H:69])[O:13][C:14]([C@@:15]1([H:70])[O:16][C@:17]([N:18]2:[C:19]([H:71]):[N:20]:[C:21]3:[C:22]([N:23]([H:72])[H:73]):[N:24]:[C:25]([H:74]):[N:26]:[C:27]:2:3)([H:75])[C@@:28]([O:29][H:76])([H:77])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:78])[O:35][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([O:37][H:85])[H:97])=[O:39])[H:96])([H:94])[H:95])([H:92])[H:93])=[O:44])[H:91])([H:89])[H:90])([H:87])[H:88].[C:49]([C:50]([C:51]([C:52](=[O:53])[C@:54]([O:55][H:101])([C:56]([C:57](=[O:58])[O:59][H:102])([H:103])[H:104])[C:60]([N+:61]([C:62]([H:105])([H:106])[H:107])([C:63]([H:108])([H:109])[H:110])[C:64]([H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])([H:121])[H:122]>>[H][C@@:54]([O:55][H:101])([C:56]([C:57](=[O:58])[O:59][H:102])([H:103])[H:104])[C:60]([N+:61]([C:62]([H:105])([H:106])[H:107])([C:63]([H:108])([H:109])[H:110])[C:64]([H:111])([H:112])[H:113])([H:114])[H:115].[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])([C:4]([O:5][P:6](=[O:7])([O:8][H:68])[O:9][P:10](=[O:11])([O:12][H:69])[O:13][C:14]([C@@:15]1([H:70])[O:16][C@:17]([N:18]2:[C:19]([H:71]):[N:20]:[C:21]3:[C:22]([N:23]([H:72])[H:73]):[N:24]:[C:25]([H:74]):[N:26]:[C:27]:2:3)([H:75])[C@@:28]([O:29][H:76])([H:77])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:78])[O:35][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[C@@:36]([O:37][H:85])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:52]([C:51]([C:50]([C:49]([H:120])([H:121])[H:122])([H:118])[H:119])([H:116])[H:117])=[O:53])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])[H:97])([H:98])([H:99])[H:100]