1,2-Dichloroethane → HCID 22266220, compound
Reaction equation
[CH3:62][CH2:63][OH:64].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Cl:65][CH2:66][CH2:67][Cl:68].[NH2:69][NH2:70].[O:1]=[C:2]1[N:3]([CH2:12][CH2:13][N:14]([c:15]2[c:16]([CH:21]3[CH2:22][CH2:23][N:24]([C:27]([CH:28]([CH2:29][c:30]4[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]4)[NH:37][C:38](=[O:39])[CH:40]4[N:41]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:42][c:43]5[cH:44][cH:45][cH:46][cH:47][c:48]5[CH2:49]4)=[O:57])[CH2:25][CH2:26]3)[cH:17][cH:18][cH:19][cH:20]2)[S:58](=[O:59])(=[O:60])[CH3:61])[C:10](=[O:11])[c:5]2[c:4]1[cH:9][cH:8][cH:7][cH:6]2>>[NH2:3][CH2:12][CH2:13][N:14]([c:15]1[c:16]([CH:21]2[CH2:22][CH2:23][N:24]([C:27]([CH:28]([CH2:29][c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[NH:37][C:38](=[O:39])[CH:40]3[N:41]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:42][c:43]4[cH:44][cH:45][cH:46][cH:47][c:48]4[CH2:49]3)=[O:57])[CH2:25][CH2:26]2)[cH:17][cH:18][cH:19][cH:20]1)[S:58](=[O:59])(=[O:60])[CH3:61]Participants
6
Sources & evidence
- ORD record
- ord-eb44681003f6430293f8c7815ab4d01f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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