2,6-Xylenol, 4-nitro- → 2-chloro-N4-(3,5-dimethyl-4-hydroxyphenyl)-5-fluoro-4-pyrimidineamine

HRID 2147044Notes

Reaction equation

HRID 2147044 reaction equation
[CH2:23]1[CH2:24][O:25][c:26]2[cH:27][cH:28][c:29]([NH:30][c:31]3[c:32]([F:33])[cH:34][n:35][c:36]([NH:37][c:38]4[cH:39][cH:40][cH:41][c:42]([OH:43])[cH:44]4)[n:45]3)[cH:46][c:47]2[O:48]1.[CH3:1][c:2]1[c:3]([OH:12])[c:4]([CH3:11])[cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[Cl:49][c:50]1[n:51][cH:52][c:53]([F:57])[c:54]([Cl:56])[n:55]1.[NH2:13][c:14]1[cH:15][c:16]([CH3:17])[c:18]([OH:19])[c:20]([CH3:21])[cH:22]1>>[CH3:1][c:2]1[c:3]([OH:12])[c:4]([CH3:11])[cH:5][c:6]([NH:8][c:54]2[c:53]([F:57])[cH:52][n:51][c:50]([Cl:49])[n:55]2)[cH:7]1

Participants

5

Reactant 4

HCID 170302,6-Xylenol, 4-nitro-HCID 826684-Amino-2,6-dimethylphenolHCID 2507052,4-Dichloro-5-fluoropyrimidineHCID 22060334N4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-hydroxyphenyl)-2,4-primidinediamine

Product 1

HCID 220604042-chloro-N4-(3,5-dimethyl-4-hydroxyphenyl)-5-fluoro-4-pyrimidineamine

Sources & evidence

ORD record
ord-5a5a00d079104663af9ebdc03a2c4b2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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