Water → HCID 22272867, compound
Reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:43][S:44]([Cl:45])(=[O:46])=[O:47].[OH2:53].[o:8]1[c:9]([S:17][CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][N:23]([CH2:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([CH:40]([CH3:41])[CH3:42])[cH:32][c:33]([OH:39])[cH:34][c:35]3[CH:36]([CH3:37])[CH3:38])[CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[o:8]1[c:9]([S:17][CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][N:23]([CH2:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([CH:40]([CH3:41])[CH3:42])[cH:32][c:33]([O:39][S:44]([CH3:43])(=[O:46])=[O:47])[cH:34][c:35]3[CH:36]([CH3:37])[CH3:38])[CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2Participants
6
Sources & evidence
- ORD record
- ord-90488bd5b4704bdea2256b8f62d13ad0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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