1,2-Dichloroethane → HCID 178482977, compound
Reaction equation
[CH2:60]([Cl:61])[CH2:62][Cl:63].[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[CH3:69][CH2:70][O:71][CH2:72][CH3:73].[CH:21]1([CH2:26][CH:27]([C:28](=[O:29])[OH:30])[CH2:31][N:32]([O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH:41]=[O:42])[CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl:1][c:2]1[n:3][c:4]([NH:19][NH2:20])[c:5]([F:18])[c:6]([N:8]2[CH2:9][CH:10]([N:15]([CH3:16])[CH3:17])[C:11]([CH3:13])([CH3:14])[CH2:12]2)[n:7]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:50][n:51]1[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[Cl:1][c:2]1[n:3][c:4]([NH:19][NH:20][C:28]([CH:27]([CH2:26][CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[CH2:31][N:32]([O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH:41]=[O:42])=[O:29])[c:5]([F:18])[c:6]([N:8]2[CH2:9][CH:10]([N:15]([CH3:16])[CH3:17])[C:11]([CH3:13])([CH3:14])[CH2:12]2)[n:7]1Participants
8
Sources & evidence
- ORD record
- ord-418e81f3e85b473b8f5a09ed44104886
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…