Chlorobenzene → HCID 9832306, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[N:9]2[CH2:10][C:11]([CH2:14][CH2:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:12][CH2:13]2)[cH:30][c:31]([O:36][CH2:37][CH3:38])[c:32]1[O:33][CH2:34][CH3:35].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[F:48][c:49]1[cH:50][cH:51][c:52]([CH2:53][n:54]2[c:55]([C:63](=[O:64])[CH:65]3[CH2:66][CH2:67][NH:68][CH2:69][CH2:70]3)[n:56][c:57]3[c:58]2[cH:59][cH:60][cH:61][cH:62]3)[cH:71][cH:72]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[N:9]2[CH2:10][C:11]([CH2:14][CH2:15][N:68]3[CH2:67][CH2:66][CH:65]([C:63]([c:55]4[n:54]([CH2:53][c:52]5[cH:51][cH:50][c:49]([F:48])[cH:72][cH:71]5)[c:58]5[c:57]([n:56]4)[cH:62][cH:61][cH:60][cH:59]5)=[O:64])[CH2:70][CH2:69]3)([c:20]3[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:12][CH2:13]2)[cH:30][c:31]([O:36][CH2:37][CH3:38])[c:32]1[O:33][CH2:34][CH3:35]Participants
5
Sources & evidence
- ORD record
- ord-ec4af6fb79554a87a8cda3fac0da888c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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