Chlorobenzene → HCID 10190638, compound
Reaction equation
[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([CH2:12][CH2:13][S:14]([CH3:15])(=[O:16])=[O:17])([c:18]3[cH:19][c:20]4[c:21]([cH:25][cH:26]3)[O:22][CH2:23][O:24]4)[CH2:10][CH2:11]2)[cH:27][cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[F:44][c:45]1[cH:46][cH:47][c:48]([CH2:49][n:50]2[c:51]([C:59](=[O:60])[CH:61]3[CH2:62][CH2:63][NH:64][CH2:65][CH2:66]3)[n:52][c:53]3[c:54]2[cH:55][cH:56][cH:57][cH:58]3)[cH:67][cH:68]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([CH2:12][CH2:13][N:64]3[CH2:63][CH2:62][CH:61]([C:59]([c:51]4[n:50]([CH2:49][c:48]5[cH:47][cH:46][c:45]([F:44])[cH:68][cH:67]5)[c:54]5[c:53]([n:52]4)[cH:58][cH:57][cH:56][cH:55]5)=[O:60])[CH2:66][CH2:65]3)([c:18]3[cH:19][c:20]4[c:21]([cH:25][cH:26]3)[O:22][CH2:23][O:24]4)[CH2:10][CH2:11]2)[cH:27][cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32]Participants
5
Sources & evidence
- ORD record
- ord-76728fad9ff047ee88fd26839b1a648a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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