1,2-Dichloroethane → HCID 68448200, compound
Reaction equation
[CH2:58]([Cl:59])[CH2:60][Cl:61].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:44]3[CH:45]([OH:50])[CH2:46][CH2:47][CH2:48][CH2:49]3)[C:11](=[O:43])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]2[cH:25][c:26]([CH2:30][C:31](=[O:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([O:39][CH3:40])[cH:41][cH:42]3)[cH:27][cH:28][cH:29]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[OH:51][C:52]([C:53]([F:54])([F:55])[F:56])=[O:57]>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:44]3[CH:45]([OH:50])[CH2:46][CH2:47][CH2:48][CH2:49]3)[C:11](=[O:43])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]2[cH:25][c:26]([CH2:30][C:31](=[O:32])[OH:33])[cH:27][cH:28][cH:29]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-e35edba8f67a4411a04c0e0a6ed30720
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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