Ethanol → 2-(6-Aminopurin-9-ylmethyl)-3-(2-hydroxyphenyl)-5-methyl-3H-quinazolin-4-one

HRID 96403

Reaction equation

HRID 96403 reaction equation
[CH3:40][CH2:41][OH:42].[H:38][H:39].[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH2:11][c:12]3[n:13][c:14]4[cH:15][cH:16][cH:17][c:18]([CH3:37])[c:19]4[c:20](=[O:36])[n:21]3-[c:22]3[c:23]([O:28][CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:24][cH:25][cH:26][cH:27]3)[c:7]2[n:8][cH:9][n:10]1.[OH-:43].[OH-:44].[Pd+2:45]>>[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH2:11][c:12]3[n:13][c:14]4[cH:15][cH:16][cH:17][c:18]([CH3:37])[c:19]4[c:20](=[O:36])[n:21]3-[c:22]3[c:23]([OH:28])[cH:24][cH:25][cH:26][cH:27]3)[c:7]2[n:8][cH:9][n:10]1

Participants

6

Reactant 5

HCID 702EthanolHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 101411422-[(6-Aminopurin-9-yl)methyl]-5-methyl-3-(2-phenylmethoxyphenyl)quinazolin-4-oneHCID 178418361HCID 178418361, compound

Product 1

HCID 101577452-(6-Aminopurin-9-ylmethyl)-3-(2-hydroxyphenyl)-5-methyl-3H-quinazolin-4-one

Sources & evidence

ORD record
ord-7e056a755d6e4599a7e495ad34eab219
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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