1,2-Dichloroethane → HCID 178502227, compound
Reaction equation
[CH2:21]([Cl:22])[CH2:23][Cl:24].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:8][O:9][C:10](=[O:11])[NH:12][CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[C:18](=[O:19])[OH:20].[N:35]1([c:40]2[cH:41][cH:42][c:43]([CH2:46][N:47]([CH2:48][CH:49]([CH:50]([CH2:51][c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[NH2:58])[OH:59])[NH:60][C:61](=[O:62])[O:63][C:64]([CH3:65])([CH3:66])[CH3:67])[cH:44][cH:45]2)[CH2:36][CH2:37][CH2:38][CH2:39]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:25][n:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33][n:34]1>>[CH3:8][O:9][C:10](=[O:11])[NH:12][CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[C:18](=[O:20])[NH:58][CH:50]([CH:49]([CH2:48][N:47]([CH2:46][c:43]1[cH:42][cH:41][c:40]([N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:45][cH:44]1)[NH:60][C:61](=[O:62])[O:63][C:64]([CH3:65])([CH3:66])[CH3:67])[OH:59])[CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1Participants
7
Sources & evidence
- ORD record
- ord-ae1628c678ac420db956ff48a3a0b029
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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