SMIRKS
[H][O:20][P:18]([O:17][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:93])([H:94])[H:95])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])(=[O:19])[O:21][H:62]>>[H]OC([H])([H])[C@@]1([H])OC([H])([O:20][P:18]([O:17][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:93])([H:94])[H:95])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])(=[O:19])[O:21][H:62])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F44 - Elemental Balance
| O | 5 |
| C | 6 |
| H | 10 |
EVODEX.1-M15 - Mass Difference
162.0528
EVODEX.1-E526 - Reaction Operator E
[#15:21]-[#8:23]-[H]>>[#15:21]-[#8:23]-[#6]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H]
EVODEX.1-C24 - Reaction Operator C
[H]-[#8:20]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N448 - Reaction Operator N
[H]-[#8:20]-[#15:18]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20]-[#15:18])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
Source Full Reactions
EVODEX.1-R3243
[H][O:20][P:18]([O:17][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:93])([H:94])[H:95])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])(=[O:19])[O:21][H:62].[N:22]([C:23]1:[N:24]:[C:25]2:[C:26](:[N:27]:[C:28]([H:96]):[N:29]:2[C@:30]2([H:97])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:98])[O:38][P:39](=[O:40])([O:41][H:99])[O:42][C@@:43]3([H:100])[O:44][C@@:45]([C:46]([O:47][H:101])([H:102])[H:103])([H:104])[C@:48]([O:49][H:105])([H:106])[C@@:50]([O:51][H:107])([H:108])[C@@:52]3([O:53][H:109])[H:110])([H:111])[H:112])([H:113])[C@:54]([O:55][H:114])([H:115])[C@:56]2([O:57][H:116])[H:117]):[C:58](=[O:59]):[N:60]:1[H:118])([H:119])[H:120]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([O:17][P:18](=[O:19])([O:20][C:43]1([H:100])[O:44][C@@:45]([C:46]([O:47][H:101])([H:102])[H:103])([H:104])[C@:48]([O:49][H:105])([H:106])[C@@:50]([O:51][H:107])([H:108])[C@@:52]1([O:53][H:109])[H:110])[O:21][H:62])([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][O:42][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:113])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([N:22]([H:119])[H:120]):[N:60]([H:118]):[C:58](=[O:59]):[C:26]:3:[N:27]:[C:28]:2[H:96])([H:97])[C@@:56]([O:57][H:116])([H:117])[C@@:54]1([O:55][H:114])[H:115])([H:111])[H:112])(=[O:36])[O:37][H:98])(=[O:40])[O:41][H:99]