Ethanol → HCID 58614643, compound
Reaction equation
[BH4-:64].[CH3:19][S:20]([CH2:21][c:22]1[cH:23][cH:24][c:25]([C:26]([OH:27])=[O:28])[cH:29][cH:30]1)(=[O:31])=[O:32].[CH3:66][CH2:67][OH:68].[Cl:33][c:34]1[c:35](-[c:54]2[n:55][cH:56][c:57]([C:58](=[O:59])[O:60][CH3:61])[cH:62][cH:63]2)[cH:36][c:37]([NH:40][C:41]([c:42]2[cH:43][cH:44][c:45]([CH2:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:46][cH:47]2)=[O:53])[cH:38][cH:39]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([Cl:6])[c:7](-[c:8]2[cH:9][cH:10][c:11]([C:12]([O:13][CH3:14])=[O:15])[cH:16][n:17]2)[cH:18]1.[Na+:65]>>[Cl:33][c:34]1[c:35](-[c:54]2[n:55][cH:56][c:57]([CH2:58][OH:59])[cH:62][cH:63]2)[cH:36][c:37]([NH:40][C:41]([c:42]2[cH:43][cH:44][c:45]([CH2:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:46][cH:47]2)=[O:53])[cH:38][cH:39]1Participants
7
Sources & evidence
- ORD record
- ord-14f1a26c96e74a28b3cbd19125749b61
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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