Dichloromethane → HCID 178459006, compound
Reaction equation
[Cl:1][c:2]1[c:3]([CH2:13][N:14]([C:15]([CH:16]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][O:36][c:37]3[c:38]([Cl:45])[cH:39][c:40]([CH3:44])[cH:41][c:42]3[Cl:43])[cH:31][cH:32]2)=[O:46])[CH:47]2[CH2:48][CH2:49]2)[cH:4][c:5]([CH:8]([CH2:9][CH3:10])[O:11][CH3:12])[n:6][cH:7]1.[Cl:61][CH2:62][Cl:63].[OH:50][O:51][C:52]([c:53]1[cH:54][c:55]([Cl:56])[cH:57][cH:58][cH:59]1)=[O:60]>>[Cl:1][c:2]1[c:3]([CH2:13][N:14]([C:15]([CH:16]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][O:36][c:37]3[c:38]([Cl:45])[cH:39][c:40]([CH3:44])[cH:41][c:42]3[Cl:43])[cH:31][cH:32]2)=[O:46])[CH:47]2[CH2:48][CH2:49]2)[cH:4][c:5]([CH:8]([CH2:9][CH3:10])[O:11][CH3:12])[n+:6]([O-:50])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-cd987a967a80462791b44faf4c05f1fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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