Benzene → HCID 178425055, compound
Reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[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]1[c:33]([C:39]([F:40])([F:41])[F:42])[cH:34][c:35]([NH2:36])[cH:37][cH:38]1.[S:27]([Cl:28])([Cl:29])=[O:30].[cH:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]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:36][c:35]2[cH:34][c:33]([C:39]([F:40])([F:41])[F:42])[c:32]([F:31])[cH:38][cH:37]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-d91b9f01bd044e1786ff54d0e5d7f34c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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