Acetate → HCID 57956047, compound
Reaction equation
[C:48]([BH3-:49])#[N:50].[CH3:44][C:45](=[O:46])[O-:47].[CH3:52][OH:53].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([CH:7]([C:8]([CH3:9])=[O:10])[CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][O:21][c:22]3[c:23]([Cl:30])[cH:24][c:25]([CH3:29])[cH:26][c:27]3[Cl:28])[cH:16][cH:17]2)=[O:31])[CH:32]2[CH2:33][CH2:34]2)[cH:35][c:36]([CH2:39][CH2:40][O:41][CH3:42])[cH:37][cH:38]1.[NH4+:43].[Na+:51]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([CH:7]([CH:8]([CH3:9])[NH2:43])[CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][O:21][c:22]3[c:23]([Cl:30])[cH:24][c:25]([CH3:29])[cH:26][c:27]3[Cl:28])[cH:16][cH:17]2)=[O:31])[CH:32]2[CH2:33][CH2:34]2)[cH:35][c:36]([CH2:39][CH2:40][O:41][CH3:42])[cH:37][cH:38]1Participants
7
Sources & evidence
- ORD record
- ord-d08e26c075b54801b565ada987c3d24f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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