Water → HCID 46864296, compound
Reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10]2[n:11]([cH:12][cH:13][cH:14]1)[c:15](-[c:18]1[n:19][c:20]([NH:24][CH:25]3[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[OH:33])[CH2:29][CH2:30]3)[n:21][cH:22][cH:23]1)[cH:16][n:17]2.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[NH:43]1[CH2:44][CH2:45][CH:46]([OH:49])[CH2:47][CH2:48]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55]>>[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10]2[n:11]([cH:12][cH:13][cH:14]1)[c:15](-[c:18]1[n:19][c:20]([NH:24][CH:25]3[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[N:43]4[CH2:44][CH2:45][CH:46]([OH:49])[CH2:47][CH2:48]4)[CH2:29][CH2:30]3)[n:21][cH:22][cH:23]1)[cH:16][n:17]2Participants
6
Sources & evidence
- ORD record
- ord-ea337d39562640eea6f0ae58b4cb3ae4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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