1,1-Dichloroethane → HCID 72297317, compound
Reaction equation
[Cl:43][c:44]1[cH:45][c:46]([CH2:47][N:48]([c:49]2[n:50][n:51][n:52]([CH3:54])[n:53]2)[CH:55]2[c:56]3[c:57]([c:62]([CH3:71])[c:63]([C:67]([F:68])([F:69])[F:70])[c:64]([CH3:66])[cH:65]3)[NH:58][CH2:59][CH2:60][CH2:61]2)[cH:72][c:73]([C:75]([F:76])([F:77])[F:78])[cH:74]1.[Cl:87][CH:88]([Cl:89])[CH3:90].[F:1][c:2]1[cH:3][c:4]([CH2:12][N:13]([CH:14]2[CH2:15][CH2:16][CH2:17][N:18]([CH2:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[c:19]3[cH:27][c:28]([C:29]([F:30])([F:31])[F:32])[c:33]([CH3:34])[cH:35][c:36]32)[c:37]2[n:38][n:39][n:40]([CH3:41])[n:42]2)[cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11]1.[n:79]1[cH:80][cH:81][c:82]([CH:83]=[O:84])[cH:85][cH:86]1>>[CH2:20]([c:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1)[N:58]1[c:57]2[c:56]([cH:65][c:64]([CH3:66])[c:63]([C:67]([F:68])([F:69])[F:70])[c:62]2[CH3:71])[CH:55]([N:48]([CH2:47][c:46]2[cH:45][c:44]([Cl:43])[cH:74][c:73]([C:75]([F:76])([F:77])[F:78])[cH:72]2)[c:49]2[n:50][n:51][n:52]([CH3:54])[n:53]2)[CH2:61][CH2:60][CH2:59]1Participants
5
Sources & evidence
- ORD record
- ord-6a34891ad6f7467e8d8bb727b477a913
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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