1,2-Dichloroethane → HCID 178481030, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][N:14]([c:18]2[c:19]3[c:20]4[cH:21][cH:22][c:23]([C:33](=[O:34])[OH:35])[cH:24][c:25]4[nH:26][c:27]3[c:28]([C:31]#[N:32])[cH:29][cH:30]2)[CH2:15][CH2:16][CH2:17]1.[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:50][N:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][N:14]([c:18]2[c:19]3[c:20]4[cH:21][cH:22][c:23]([C:33](=[O:34])[N:54]5[CH2:53][CH2:52][N:51]([CH3:50])[CH2:56][CH2:55]5)[cH:24][c:25]4[nH:26][c:27]3[c:28]([C:31]#[N:32])[cH:29][cH:30]2)[CH2:15][CH2:16][CH2:17]1Participants
5
Sources & evidence
- ORD record
- ord-b1185525bac341bd8a7d4df88187655f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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