3-Aminobenzonitrile → 2-chloro-N4-(3-cyanophenyl)-5-fluoro-4-pyrimidineamine

HRID 296511Notes

Reaction equation

HRID 296511 reaction equation
[CH2:1]1[CH2:2][O:3][c:4]2[cH:5][cH:6][c:7]([NH:8][c:9]3[c:10]([F:11])[cH:12][n:13][c:14]([NH:15][c:16]4[cH:17][cH:18][cH:19][c:20]([OH:21])[cH:22]4)[n:23]3)[cH:24][c:25]2[O:26]1.[Cl:36][c:37]1[n:38][cH:39][c:40]([F:44])[c:41]([Cl:43])[n:42]1.[NH2:27][c:28]1[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35]1>>[NH:27]([c:28]1[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35]1)[c:41]1[c:40]([F:44])[cH:39][n:38][c:37]([Cl:36])[n:42]1

Participants

4

Reactant 3

HCID 167023-AminobenzonitrileHCID 2507052,4-Dichloro-5-fluoropyrimidineHCID 22060334N4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-hydroxyphenyl)-2,4-primidinediamine

Product 1

HCID 220604572-chloro-N4-(3-cyanophenyl)-5-fluoro-4-pyrimidineamine

Sources & evidence

ORD record
ord-d17b8c0f988a4a3a9fdbcfa851033bf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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