SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:6]([C:5]([C:2]([C:1]([H:111])([H:112])[H:113])([C:3]([H:68])([H:69])[H:70])[C:4]([H:71])([H:72])[H:73])([H:109])[H:110])=[O:7])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57]([N:56]([H:129])[H:130])=[O:58])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([S:64][H:114])[H:120])([H:118])[H:119])([H:116])[H:117]>>[C:1]([C:2]([C:3]([H:68])([H:69])[H:70])([C:4]([H:71])([H:72])[H:73])[C:5]([C:6](=[O:7])[S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57]([N:56]([H:129])[H:130])=[O:58])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([S:64][H:114])[H:120])([H:118])[H:119])([H:116])[H:117])([H:109])[H:110])([H:111])([H:112])[H:113]
Derived Operators
EVODEX.1-F49 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -36 |
EVODEX.1-M7 - Mass Difference
-767.1154799999999
EVODEX.1-E542 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H].[#16:66](-[#6:67])-[H]>>[#6:15]-[#6:16](=[#8:17])-[#16:66]-[#6:67]
EVODEX.1-C305 - Reaction Operator C
[H]-[#16:27].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:43])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#16:27]-[#6:43]
EVODEX.1-N351 - Reaction Operator N
[H]-[#16:27]-[#6:26].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:43](-[#6:42])=[#8:44])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#6:26]-[#16:27]-[#6:43](-[#6:42])=[#8:44]
EVODEX.1-Em447 - Reaction Operator Em
[H]-[#16:27]-[#6:26].[#6]-[#16]-[#6:43](-[#6:42])=[#8:44]>>[#6:26]-[#16:27]-[#6:43](-[#6:42])=[#8:44]
EVODEX.1-Nm400 - Reaction Operator Nm
[H]-[#16:27]-[#6:26].[#6]-[#16]-[#6:43](-[#6:42])=[#8:44]>>[#6:26]-[#16:27]-[#6:43](-[#6:42])=[#8:44]
Source Full Reactions
EVODEX.1-R2129
[C:1]([C:2]([C:3]([H:68])([H:69])[H:70])([C:4]([H:71])([H:72])[H:73])[C:5]([C:6](=[O:7])[S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:74])([C:21]([C:22]([H:75])([H:76])[H:77])([C:23]([H:78])([H:79])[H:80])[C:24]([O:25][P:26](=[O:27])([O:28][H:81])[O:29][P:30](=[O:31])([O:32][H:82])[O:33][C:34]([C@@:35]1([H:83])[O:36][C@:37]([N:38]2:[C:39]([H:84]):[N:40]:[C:41]3:[C:42]([N:43]([H:85])[H:86]):[N:44]:[C:45]([H:87]):[N:46]:[C:47]:2:3)([H:88])[C@@:48]([O:49][H:89])([H:90])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:91])[O:55][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:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])([H:112])[H:113].[H][S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57]([N:56]([H:129])[H:130])=[O:58])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([S:64][H:114])[H:120])([H:118])[H:119])([H:116])[H:117]>>[C:1]([C:2]([C:3]([H:68])([H:69])[H:70])([C:4]([H:71])([H:72])[H:73])[C:5]([C:6](=[O:7])[S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57]([N:56]([H:129])[H:130])=[O:58])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([S:64][H:114])[H:120])([H:118])[H:119])([H:116])[H:117])([H:109])[H:110])([H:111])([H:112])[H:113].[H][S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:74])([C:21]([C:22]([H:75])([H:76])[H:77])([C:23]([H:78])([H:79])[H:80])[C:24]([O:25][P:26](=[O:27])([O:28][H:81])[O:29][P:30](=[O:31])([O:32][H:82])[O:33][C:34]([C@@:35]1([H:83])[O:36][C@:37]([N:38]2:[C:39]([H:84]):[N:40]:[C:41]3:[C:42]([N:43]([H:85])[H:86]):[N:44]:[C:45]([H:87]):[N:46]:[C:47]:2:3)([H:88])[C@@:48]([O:49][H:89])([H:90])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:91])[O:55][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:104])([H:105])[H:106])([H:107])[H:108]