1-Butanol → 4-[[6-(2,3-dihydro-1H-inden-1-ylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol

HRID 1201249Notes

Reaction equation

HRID 1201249 reaction equation
[CH2:52]([OH:53])[CH2:54][CH2:55][CH3:56].[Cl:17][c:18]1[n:19][cH:20][n:21][c:22]([NH:23][CH:24]2[CH2:25][CH:26]3[O:27][CH:28]([c:29]4[cH:30][cH:31][c:32]([O:33][CH3:34])[cH:35][cH:36]4)[O:37][CH2:38][CH:39]3[CH2:40]2)[cH:41]1.[Cl:1][c:2]1[cH:3][c:4]([NH:8][CH:9]2[CH2:10][CH:11]([CH2:15][OH:16])[CH:12]([OH:14])[CH2:13]2)[n:5][cH:6][n:7]1.[NH2:42][CH:43]1[CH2:44][CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]21>>[c:2]1([NH:42][CH:43]2[CH2:44][CH2:45][c:46]3[cH:47][cH:48][cH:49][cH:50][c:51]32)[cH:3][c:4]([NH:8][CH:9]2[CH2:10][CH:11]([CH2:15][OH:16])[CH:12]([OH:14])[CH2:13]2)[n:5][cH:6][n:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 123445(+-)-1-AminoindanHCID 723538854-[(6-Chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-olHCID 723538876-chloro-N-[2-(4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxin-6-yl]pyrimidin-4-amine

Product 1

HCID 684240234-[[6-(2,3-dihydro-1H-inden-1-ylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol

Sources & evidence

ORD record
ord-173e011858d84eef945295ea29417028
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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