SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:77])([H:78])[H:79])[C:3]([H:52])([H:53])[H:54])[H:76])([H:74])[H:75])([H:72])[H:73])[C:8]([H:55])([H:56])[H:57])[H:71])([H:69])[H:70])([H:67])[H:68])[C:13]([H:58])([H:59])[H:60])[H:66])([H:64])[H:65].[H][S:36][C:35]([C@@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:109])([H:110])[H:111])([H:107])[H:108])([C:28]([H:80])([H:81])[H:82])[H:106])([C:37](=[O:38])[N:39]([C@:40]([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])([C:49]([C:50]([H:96])([H:97])[H:98])([C:51]([H:99])([H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:89])=[O:32])([N:34]([H:83])[H:84])[H:88])([H:86])[H:87]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:55])([H:56])[H:57])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:58])([H:59])[H:60])=[C:14]([C:15]([S:36][C:35]([C@@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:109])([H:110])[H:111])([H:107])[H:108])([C:28]([H:80])([H:81])[H:82])[H:106])([C:37](=[O:38])[N:39]([C@:40]([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])([C:49]([C:50]([H:96])([H:97])[H:98])([C:51]([H:99])([H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:89])=[O:32])([N:34]([H:83])[H:84])[H:88])([H:86])[H:87])([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]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E705 - Reaction Operator E
[#6:19]-[#6:20](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[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])
EVODEX.1-C30 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:20].[H]-[#16:40]>>[#6:20]-[#16:40]
EVODEX.1-N5 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:20](-[#6:19])(-[H:94])-[H:95].[H]-[#16:40]-[#6:39]>>[#6:19]-[#6:20](-[#16:40]-[#6:39])(-[H:94])-[H:95]
EVODEX.1-Em38 - Reaction Operator Em
[#15]-[#8]-[#6:20]-[#6:19].[H]-[#16:40]-[#6:39]>>[#6:19]-[#6:20]-[#16:40]-[#6:39]
EVODEX.1-Nm42 - Reaction Operator Nm
[#15]-[#8]-[#6:20]-[#6:19].[H]-[#16:40]-[#6:39]>>[#6:19]-[#6:20]-[#16:40]-[#6:39]
Source Full Reactions
EVODEX.1-R3424
[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:55])([H:56])[H:57])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:58])([H:59])[H:60])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:61])[O:20][P:21](=[O:22])([O:23][H:62])[O:24][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][S:36][C:35]([C@@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:109])([H:110])[H:111])([H:107])[H:108])([C:28]([H:80])([H:81])[H:82])[H:106])([C:37](=[O:38])[N:39]([C@:40]([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])([C:49]([C:50]([H:96])([H:97])[H:98])([C:51]([H:99])([H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:89])=[O:32])([N:34]([H:83])[H:84])[H:88])([H:86])[H:87]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:55])([H:56])[H:57])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:58])([H:59])[H:60])=[C:14]([C:15]([S:36][C:35]([C@@:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:109])([H:110])[H:111])([H:107])[H:108])([C:28]([H:80])([H:81])[H:82])[H:106])([C:37](=[O:38])[N:39]([C@:40]([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])([C:49]([C:50]([H:96])([H:97])[H:98])([C:51]([H:99])([H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:89])=[O:32])([N:34]([H:83])[H:84])[H:88])([H:86])[H:87])([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][O:16][P:17](=[O:18])([O:19][H:61])[O:20][P:21](=[O:22])([O:23][H:62])[O:24][H:63]