1,2-Dichloroethane → HCID 178458694, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][CH:5]1[CH2:6][CH:7]([NH:16][CH2:17][CH:18]([CH:19]([CH2:20][c:21]2[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]2)[NH2:29])[OH:30])[c:8]2[cH:9][c:10]([O:14][CH3:15])[cH:11][cH:12][c:13]21.[CH2:44]([Cl:45])[CH2:46][Cl:47].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Na+:71].[O-:67][C:68]([OH:69])=[O:70].[O:31]=[C:32]1[N:33]([CH:37]([C:38](=[O:39])[OH:40])[CH2:41][CH:42]=[CH2:43])[CH2:34][CH2:35][CH2:36]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][CH:5]1[CH2:6][CH:7]([NH:16][CH2:17][CH:18]([CH:19]([CH2:20][c:21]2[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]2)[NH:29][C:38]([CH:37]([N:33]2[C:32](=[O:31])[CH2:36][CH2:35][CH2:34]2)[CH2:41][CH:42]=[CH2:43])=[O:39])[OH:30])[c:8]2[cH:9][c:10]([O:14][CH3:15])[cH:11][cH:12][c:13]21Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-6804e823ba9f477385239b83431fdb24
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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