Benzene → HCID 178425049, compound
Reaction equation
[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[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]([CH3:33])([F:34])[c:35]1[cH:36][c:37]([NH2:38])[cH:39][cH:40][cH:41]1.[S:27]([Cl:28])([Cl:29])=[O:30].[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]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:38][c:37]2[cH:36][c:35]([C:32]([F:31])([CH3:33])[F:34])[cH:41][cH:40][cH:39]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-0eb582803cf74c53a77e16c82ab29684
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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