1,2-Dichloroethane → HCID 178481067, compound
Reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH2:70]([Cl:71])[CH2:72][Cl:73].[CH3:39][N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][C:9]23[C:10](=[O:34])[N:11]([c:26]4[cH:27][c:28]([Cl:33])[n:29][c:30]([Cl:32])[cH:31]4)[C:12](=[O:25])[N:13]2[CH2:14][CH:15]([NH:17][C:18]([CH2:19][CH2:20][C:21](=[O:22])[OH:23])=[O:24])[CH2:16]3)[cH:35][cH:36]1)([F:37])[F:38].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][C:9]23[C:10](=[O:34])[N:11]([c:26]4[cH:27][c:28]([Cl:33])[n:29][c:30]([Cl:32])[cH:31]4)[C:12](=[O:25])[N:13]2[CH2:14][CH:15]([NH:17][C:18]([CH2:19][CH2:20][C:21](=[O:22])[N:43]2[CH2:42][CH2:41][N:40]([CH3:39])[CH2:45][CH2:44]2)=[O:24])[CH2:16]3)[cH:35][cH:36]1)([F:37])[F:38]Participants
7
Sources & evidence
- ORD record
- ord-12aa8be86ed14382a65cda769166cef8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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