1,2-Dichloroethane → HCID 87229562, compound
Reaction equation
[CH2:39]([Cl:40])[CH2:41][Cl:42].[CH3:19][S:20][S:21][CH2:22][CH2:23][C:24](=[O:25])[NH:26][c:27]1[cH:28][c:29]2[cH:30][c:31]([C:36](=[O:37])[OH:38])[nH:32][c:33]2[cH:34][cH:35]1.[ClH:18].[OH:1][c:2]1[c:3]2[c:4]([c:5]3[c:9]([cH:10]1)[N:8]([NH2:11])[CH2:7][CH:6]3[CH2:12][Cl:13])[cH:14][cH:15][cH:16][cH:17]2>>[OH:1][c:2]1[c:3]2[c:4]([c:5]3[c:9]([cH:10]1)[N:8]([C:36]([c:31]1[cH:30][c:29]4[cH:28][c:27]([NH:26][C:24]([CH2:23][CH2:22][S:21][S:20][CH3:19])=[O:25])[cH:35][cH:34][c:33]4[nH:32]1)=[O:37])[CH2:7][CH:6]3[CH2:12][Cl:13])[cH:14][cH:15][cH:16][cH:17]2Participants
5
Sources & evidence
- ORD record
- ord-a2821466207a46e88c838a9c7e801d9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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