1,2-Dichloroethane → HCID 72297376, compound
Reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:54]([CH3:55])([CH3:56])([CH3:57])[O:58][C:59](=[O:60])[N:61]1[CH2:62][CH2:63][CH:64]([CH:67]=[O:68])[CH2:65][CH2:66]1.[CH3:69][C:70](=[O:71])[OH:72].[Cl:73][CH2:74][CH2:75][Cl:76].[Cl:77][CH2:78][Cl:79].[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([c:22]2[n:23][n:24][n:25]([CH3:27])[n:26]2)[CH:28]2[c:29]3[c:30]([c:35]([CH3:44])[c:36]([C:40]([F:41])([F:42])[F:43])[c:37]([CH3:39])[cH:38]3)[NH:31][CH2:32][CH2:33][CH2:34]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53].[Na+:14]>>[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([c:22]2[n:23][n:24][n:25]([CH3:27])[n:26]2)[CH:28]2[c:29]3[c:30]([c:35]([CH3:44])[c:36]([C:40]([F:41])([F:42])[F:43])[c:37]([CH3:39])[cH:38]3)[N:31]([CH2:67][CH:64]3[CH2:63][CH2:62][N:61]([C:59]([O:58][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:60])[CH2:66][CH2:65]3)[CH2:32][CH2:33][CH2:34]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53]Participants
8
Sources & evidence
- ORD record
- ord-b722f8efdfaa42ce89cb1d07a95b6793
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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