1,2-Dichloroethane → HCID 66782407, compound
Reaction equation
[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[NH:43][C:44]([NH:45][CH:46]([CH2:47][C:48](=[O:49])[OH:50])[CH3:51])=[O:52].[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[NH2:1][CH:2]([C:3](=[O:4])[N:5]([CH2:6][CH:7]([O:8][CH2:9][CH3:10])[O:11][CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][cH:17][cH:18][c:19]2[c:20]1[n:21][cH:22][s:23]2)[CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:29][cH:30]1.[OH:57][n:58]1[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[n:65][n:66]1>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]([CH2:6][CH:7]([O:8][CH2:9][CH3:10])[O:11][CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][cH:17][cH:18][c:19]2[c:20]1[n:21][cH:22][s:23]2)[CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:29][cH:30]1)[C:48]([CH2:47][CH:46]([NH:45][C:44]([NH:43][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:52])[CH3:51])=[O:49]Participants
7
Sources & evidence
- ORD record
- ord-f5c0632dff9340d88b17ed5394f63f9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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