1,2-Dichloroethane → HCID 178491598, compound
Reaction equation
[Br:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[c:12]([O:21][CH3:22])[cH:13][c:14]([CH2:17][C:18](=[O:19])[OH:20])[cH:15][cH:16]2)=[O:23])[cH:4][cH:5][cH:6][cH:7]1.[CH2:45]([Cl:46])[CH2:47][Cl:48].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[ClH:49].[NH2:24][CH:25]([CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43]1)[CH3:44].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1>>[Br:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[c:12]([O:21][CH3:22])[cH:13][c:14]([CH2:17][C:18](=[O:20])[NH:24][CH:25]([CH2:26][O:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:42][cH:43]3)[CH3:44])[cH:15][cH:16]2)=[O:23])[cH:4][cH:5][cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-08092741b33a4709b225e9087b393a74
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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