1H-Indole-2-carboxylic acid, 7-amino-, ethyl ester → N4-(3,5-dimethoxyphenyl)-N2-(2-ethoxycarbonylindol-7-yl)-5-fluoro-2,4-pyrimidinediamine

HRID 153122Notes

Reaction equation

HRID 153122 reaction equation
[CH2:20]([CH3:21])[O:22][C:23](=[O:24])[c:25]1[nH:26][c:27]2[c:28]([NH2:34])[cH:29][cH:30][cH:31][c:32]2[cH:33]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]([O:17][CH3:18])[cH:12][c:13]([O:15][CH3:16])[cH:14]2)[n:7]1>>[c:2]1([NH:34][c:28]2[c:27]3[nH:26][c:25]([C:23]([O:22][CH2:20][CH3:21])=[O:24])[cH:33][c:32]3[cH:31][cH:30][cH:29]2)[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]([O:17][CH3:18])[cH:12][c:13]([O:15][CH3:16])[cH:14]2)[n:7]1

Participants

3

Reactant 2

HCID 111381941H-Indole-2-carboxylic acid, 7-amino-, ethyl esterHCID 220606942-chloro-N4-(3,5-dimethoxyphenyl)-5-fluoro-4-pyrimidineamine

Product 1

HCID 22060274N4-(3,5-dimethoxyphenyl)-N2-(2-ethoxycarbonylindol-7-yl)-5-fluoro-2,4-pyrimidinediamine

Sources & evidence

ORD record
ord-ffcaa9f7092e4f58b79fc1bb1f113714
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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