Water → HCID 178470694, compound
Reaction equation
[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:1]1([c:4]2[cH:5][c:6]([CH:16]([C:17](=[O:18])[OH:19])[CH2:20][CH:21]3[CH2:22][C:23](=[O:26])[CH2:24][CH2:25]3)[cH:7][cH:8][c:9]2[S:10](=[O:11])(=[O:12])[CH:13]2[CH2:14][CH2:15]2)[CH2:2][CH2:3]1.[Cl:27][C:28]([C:29]([Cl:30])=[O:31])=[O:32].[Cl:51][CH2:52][Cl:53].[NH2:38][c:39]1[cH:40][cH:41][c:42]([CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:43][n:44]1.[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:60].[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[CH:1]1([c:4]2[cH:5][c:6]([CH:16]([C:17](=[O:18])[NH:38][c:39]3[cH:40][cH:41][c:42]([CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:43][n:44]3)[CH2:20][CH:21]3[CH2:22][C:23](=[O:26])[CH2:24][CH2:25]3)[cH:7][cH:8][c:9]2[S:10](=[O:11])(=[O:12])[CH:13]2[CH2:14][CH2:15]2)[CH2:2][CH2:3]1Participants
9
Sources & evidence
- ORD record
- ord-305bbe42de014579b586db1907dbe0e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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