Acetonitrile → 2-{4-[4-(3,4-Dichloro-phenyl)-butyl]-phenylamino}-5-nitro-benzoic acid
Reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41]#[N:42].[Cl:14][c:15]1[cH:16][c:17]([CH2:22][CH2:23][CH2:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([NH2:32])[cH:30][cH:31]2)[cH:18][cH:19][c:20]1[Cl:21].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1>>[c:2]1([NH:32][c:29]2[cH:28][cH:27][c:26]([CH2:25][CH2:24][CH2:23][CH2:22][c:17]3[cH:16][c:15]([Cl:14])[c:20]([Cl:21])[cH:19][cH:18]3)[cH:31][cH:30]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-572ba20f11fc4de5ac8a536546ac1b02
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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