Hydrochloric Acid → 2-[3-[(Benzylamino)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetonitrile
Reaction equation
[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][CH2:15][CH:16]1[CH2:17][O:18][c:19]2[c:20]([cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]2)[O:21]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[Cl:29][c:30]1[cH:31][cH:32][c:33]([O:34][CH2:35][C:36]#[N:37])[cH:38][cH:39]1.[ClH:40].[K+:6].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][CH2:15][CH:16]1[CH2:17][O:18][c:19]2[c:20]([c:22]([CH2:35][C:36]#[N:37])[c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]2)[O:21]1Participants
7
Sources & evidence
- ORD record
- ord-96d0bbed51be411a84f62a855a77f0f9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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