1,2-Dichloroethane → HCID 86647508, compound
Reaction equation
[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:7][O:8][c:9]1[cH:10][c:11]([CH2:12][n:13]2[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[c:20]3[c:21]([O:26][CH2:27][CH2:28][CH:29]([C:30](=[O:31])[OH:32])[CH3:33])[cH:22][cH:23][cH:24][c:25]23)[cH:34][cH:35][c:36]1[O:37][CH2:38][c:39]1[n:40][c:41](-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[o:42][c:43]1[CH3:44].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:56][CH2:57][CH2:58][Cl:59]>>[Cl:1][C:30]([CH:29]([CH2:28][CH2:27][O:26][c:21]1[c:20]2[c:19]3[c:14]([n:13]([CH2:12][c:11]4[cH:10][c:9]([O:8][CH3:7])[c:36]([O:37][CH2:38][c:39]5[n:40][c:41](-[c:45]6[cH:46][cH:47][cH:48][cH:49][cH:50]6)[o:42][c:43]5[CH3:44])[cH:35][cH:34]4)[c:25]2[cH:24][cH:23][cH:22]1)[cH:15][cH:16][cH:17][cH:18]3)[CH3:33])=[O:31]Participants
5
Sources & evidence
- ORD record
- ord-9f7066e58c154beab279b696a1a5b571
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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