1,2-Dichloroethane → HCID 53842741, compound
Reaction equation
[C:30]([CH2:31][CH2:32][CH2:33][CH:34]=[CH:35][CH2:36][CH:37]=[CH:38][CH2:39][CH:40]=[CH:41][CH2:42][CH:43]=[CH:44][CH2:45][CH:46]=[CH:47][CH2:48][CH3:49])(=[O:50])[NH:51][CH2:52][CH2:53][OH:54].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[CH:15]1([N:16]=[C:17]=[N:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[Cl:64][CH2:65][CH2:66][Cl:67].[O:10]1[CH2:11][CH2:12][CH2:13][CH2:14]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1>>[O:1]([C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[CH2:53][CH2:52][NH:51][C:30]([CH2:31][CH2:32][CH2:33][CH:34]=[CH:35][CH2:36][CH:37]=[CH:38][CH2:39][CH:40]=[CH:41][CH2:42][CH:43]=[CH:44][CH2:45][CH:46]=[CH:47][CH2:48][CH3:49])=[O:50]Participants
7
Sources & evidence
- ORD record
- ord-82a27be0c9f146dbb8c72d8c7a4e195d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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