1,2-Dichloroethane → HCID 75986250, compound
Reaction equation
[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:75][CH2:76][CH2:77][Cl:78].[Cl:8][c:9]1[cH:10][c:11]([F:39])[c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:32])[OH:33])[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:64][c:65]1[c:66]([O:73][CH3:74])[cH:67][c:68]([C:69]#[N:70])[cH:71][cH:72]1.[c:49]1([P:50]([Cl:51])([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)=[O:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[Cl:8][c:9]1[cH:10][c:11]([F:39])[c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:33])[NH:64][c:65]2[c:66]([O:73][CH3:74])[cH:67][c:68]([C:69]#[N:70])[cH:71][cH:72]2)[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1Participants
7
Sources & evidence
- ORD record
- ord-59d727191bae403d8e7107504cc95c54
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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