1,2-Dichloroethane → HCID 178433469, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][O:14][C:15](=[O:16])[CH:17]1[N:18]([C:22]([CH:23]([CH3:24])[NH:25][C:26](=[O:27])[CH:28]([CH3:29])[N:30]([C:31](=[O:32])[CH:33]2[N:34]([C:38](=[O:39])[O:43][C:44]([CH3:47])([CH3:48])[CH3:49])[CH2:35][CH2:36][CH2:37]2)[CH3:45])=[O:46])[CH2:19][CH2:20][CH2:21]1)[C:40]([OH:41])=[O:42].[CH2:62]([Cl:63])[CH2:64][Cl:65].[Cl:66][CH2:67][Cl:68].[F:50][c:51]1[c:52]([OH:53])[c:54]([F:55])[c:56]([F:57])[c:58]([F:59])[c:60]1[F:61]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][O:14][C:15](=[O:16])[CH:17]2[N:18]([CH2:19][CH2:20][CH2:21]2)[C:22](=[O:46])[CH:23]([CH3:24])[NH:25][C:26](=[O:27])[CH:28]([CH3:29])[N:30]([CH3:45])[C:31](=[O:32])[CH:33]2[N:34]([CH2:35][CH2:36][CH2:37]2)[C:38]1=[O:39]Participants
5
Sources & evidence
- ORD record
- ord-489a8e239276430da6ef72a01a3e589a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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