1,3-Butanediol → HCID 14116936, compound
Reaction equation
[CH2:39]([CH2:40][CH:41]([CH3:42])[OH:43])[OH:44].[NH2:1][c:2]1[cH:3][c:4]([OH:19])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[cH:16][c:17]1[Cl:18].[O:45]=[C:46]([O:47][CH2:48][CH3:49])[N:50]=[N:51][C:52]([O:53][CH2:54][CH3:55])=[O:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[NH2:1][c:2]1[cH:3][c:4]([O:19][CH2:39][CH2:40][CH:41]([CH3:42])[OH:43])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[cH:16][c:17]1[Cl:18]Participants
6
Sources & evidence
- ORD record
- ord-52e173bd207c41ce8078df3fceca9077
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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