Benzene → HCID 178425047, compound
Reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[OH:26])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[F:31][C:32]([c:33]1[cH:34][c:35]([C:39]2([NH2:42])[CH2:40][CH2:41]2)[cH:36][cH:37][cH:38]1)([F:43])[F:44].[S:27]([Cl:28])([Cl:29])=[O:30].[cH:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:26])[NH:42][C:39]2([c:35]4[cH:34][c:33]([C:32]([F:31])([F:43])[F:44])[cH:38][cH:37][cH:36]4)[CH2:40][CH2:41]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-41eb11a9787a4b40bba68a281e42cf24
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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