4-Isopropylaniline → N4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(4-isopropylphenyl)-2,4-pyrimidinediamine
Reaction equation
[CH:20]([CH3:21])([CH3:22])[c:23]1[cH:24][cH:25][c:26]([NH2:27])[cH:28][cH:29]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[O:15][CH2:16][CH2:17][O:18]3)[n:7]1>>[c:2]1([NH:27][c:26]2[cH:25][cH:24][c:23]([CH:20]([CH3:21])[CH3:22])[cH:29][cH:28]2)[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[O:15][CH2:16][CH2:17][O:18]3)[n:7]1Participants
3
Sources & evidence
- ORD record
- ord-18aa1996628d4e4baebdf177f9675ab4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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