Bicarbonate Ion → HCID 57476279, compound
Reaction equation
[CH2:36]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:48]1)[S:43][CH:44]([CH2:45][NH:46][C:47](=[O:37])[c:49]1[nH:50][c:51]2[c:52]([N:59]([CH3:60])[S:61](=[O:62])(=[O:63])[c:64]3[c:65]([Cl:70])[n:66][cH:67][cH:68][cH:69]3)[cH:53][cH:54][c:55]([CH3:58])[c:56]2[cH:57]1)[CH2:71][N:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[CH3:78][S:79][CH3:80].[CH3:86][C:87]#[N:88].[F:21][C:22]([S:23]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])(=[O:32])=[O:33])([F:34])[F:35].[Na+:81].[OH:82][C:83](=[O:84])[O-:85].[c:1]1([P:2](=[O:3])([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[S:43]1[CH:44]([CH2:71][N:72]2[CH2:73][CH2:74][O:75][CH2:76][CH2:77]2)[CH2:45][N:46]=[C:47]1[c:49]1[nH:50][c:51]2[c:52]([N:59]([CH3:60])[S:61](=[O:62])(=[O:63])[c:64]3[c:65]([Cl:70])[n:66][cH:67][cH:68][cH:69]3)[cH:53][cH:54][c:55]([CH3:58])[c:56]2[cH:57]1Participants
8
Sources & evidence
- ORD record
- ord-822bc523722f4f2fb4d4680e86979600
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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