SMIRKS
[H][O:13][C:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:101])([H:102])[H:103])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])=[O:11])([C:14]([O:15][H:61])([C:16]([O:17][H:62])([C:18](=[O:19])[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([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:80])[H:81])[H:82])[H:83])[H:84]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:13][C:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:101])([H:102])[H:103])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])=[O:11])([C:14]([O:15][H:61])([C:16]([O:17][H:62])([C:18](=[O:19])[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([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:80])[H:81])[H:82])[H:83])[H:84]
Derived Operators
EVODEX.1-F459 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 9 |
| N | 3 |
| H | 12 |
EVODEX.1-M163 - Mass Difference
305.04136
EVODEX.1-E1270 - Reaction Operator E
[#6:32]-[#8:33]-[H]>>[#6:32]-[#8:33]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C129 - Reaction Operator C
[H]-[#8:13]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]
EVODEX.1-N587 - Reaction Operator N
[H]-[#8:13]-[#6:12]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]-[#6:12]
Source Full Reactions
EVODEX.1-R4533
[H][O:13][C:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:101])([H:102])[H:103])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])=[O:11])([C:14]([O:15][H:61])([C:16]([O:17][H:62])([C:18](=[O:19])[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([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:80])[H:81])[H:82])[H:83])[H:84].[C:29]([N+:30]([C:31]([H:104])([H:105])[H:106])([C:32]([H:107])([H:108])[H:109])[C:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:110])[O:39][P:40](=[O:41])([O:42][H:111])[O:43][C:44]([C@@:45]1([H:112])[O:46][C@:47]([N:48]2:[C:49]([H:113]):[C:50]([H:114]):[C:51]([N:52]([H:115])[H:116]):[N:53]:[C:54]:2=[O:55])([H:117])[C@@:56]([O:57][H:118])([H:119])[C@@:58]1([O:59][H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])([H:129])[H:130]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[C:12]([O:13][P:40](=[O:41])([O:42][H:111])[O:43][C:44]([C@@:45]1([H:112])[O:46][C@:47]([N:48]2:[C:49]([H:113]):[C:50]([H:114]):[C:51]([N:52]([H:115])[H:116]):[N:53]:[C:54]:2=[O:55])([H:117])[C@@:56]([O:57][H:118])([H:119])[C@@:58]1([O:59][H:120])[H:121])([H:122])[H:123])([C:14]([O:15][H:61])([C:16]([O:17][H:62])([C:18](=[O:19])[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([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: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:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103].[H][O:39][P:36]([O:35][C:34]([C:33]([N+:30]([C:29]([H:128])([H:129])[H:130])([C:31]([H:104])([H:105])[H:106])[C:32]([H:107])([H:108])[H:109])([H:126])[H:127])([H:124])[H:125])(=[O:37])[O:38][H:110]