1,2-Dichloroethane → HCID 58870811, compound
Reaction equation
[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:1][O:2][C:3]([CH:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[c:18]([Cl:24])[cH:19][c:20]([NH2:23])[cH:21][cH:22]2)[CH2:15][CH2:16]1)=[O:25].[CH3:26][c:27]1[c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34][cH:35]1.[CH3:50][N:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[Cl:57][CH2:58][Cl:59].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[CH3:1][O:2][C:3]([CH:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[c:18]([Cl:24])[cH:19][c:20]([NH:23][C:29]([c:28]3[c:27]([CH3:26])[cH:35][cH:34][cH:33][cH:32]3)=[O:30])[cH:21][cH:22]2)[CH2:15][CH2:16]1)=[O:25]Participants
7
Sources & evidence
- ORD record
- ord-ad95afdbb651428d9a446d9f4e07b64d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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