Stearic Acid → 2-Chlorooctadecanoic acid
Reaction equation
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18]([OH:19])=[O:20].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Cl:21][N:22]1[C:23](=[O:24])[CH2:25][CH2:26][C:27]1=[O:28].[Cl:29][S:30]([OH:31])(=[O:32])=[O:33].[c:34]1(=[C:35]([C:36]#[N:37])[C:38]#[N:39])[cH:40][cH:41][c:42](=[C:43]([C:44]#[N:45])[C:46]#[N:47])[cH:48][cH:49]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:17]([C:18]([OH:19])=[O:20])[Cl:21]Participants
6
Sources & evidence
- ORD record
- ord-ace3cd6c8ad543308ccd6b5d207753bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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