1,2-Dichloroethane → HCID 22266242, compound
Reaction equation
[Cl:64][CH2:65][CH2:66][Cl:67].[NH2:1][c:2]1[c:3]([CH:8]2[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[NH:24][C:25](=[O:26])[CH:27]3[N:28]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]4[CH2:36]3)=[O:44])[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1.[c:45]1([CH3:57])[c:46]([S:53](=[O:54])(=[O:55])[Cl:56])[c:47]([CH3:52])[cH:48][c:49]([CH3:51])[cH:50]1.[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1>>[NH:1]([c:2]1[c:3]([CH:8]2[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[NH:24][C:25](=[O:26])[CH:27]3[N:28]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]4[CH2:36]3)=[O:44])[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1)[S:53]([c:46]1[c:45]([CH3:57])[cH:50][c:49]([CH3:51])[cH:48][c:47]1[CH3:52])(=[O:54])=[O:55]Participants
5
Sources & evidence
- ORD record
- ord-f828fdf06a3942b0975f1c000473c193
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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