Dimethylformamide → 5-Methyl-2-(1-[9-(2-trimethylsilylethoxymethyl)-9H-purin-6-ylamino]ethyl)-3-(3-trimethylsilylethynyiphenyl)-3H-quinazolin-4-one

HRID 308373Notes

Reaction equation

[CH3:1][c:2]1[c:3]2[c:4](=[O:46])[n:5](-[c:32]3[cH:33][c:34]([O:38][S:39]([C:40]([F:41])([F:42])[F:43])(=[O:44])=[O:45])[cH:35][cH:36][cH:37]3)[c:6]([CH:12]([CH3:13])[NH:14][c:15]3[c:16]4[n:17][cH:18][n:19]([CH2:24][O:25][CH2:26][CH2:27][Si:28]([CH3:29])([CH3:30])[CH3:31])[c:20]4[n:21][cH:22][n:23]3)[n:7][c:8]2[cH:9][cH:10][cH:11]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][Si:55]([CH3:56])([CH3:57])[C:58]#[CH:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[CH3:1][c:2]1[c:3]2[c:4](=[O:46])[n:5](-[c:32]3[cH:33][c:34]([C:59]#[C:58][Si:55]([CH3:54])([CH3:56])[CH3:57])[cH:35][cH:36][cH:37]3)[c:6]([CH:12]([CH3:13])[NH:14][c:15]3[c:16]4[n:17][cH:18][n:19]([CH2:24][O:25][CH2:26][CH2:27][Si:28]([CH3:29])([CH3:30])[CH3:31])[c:20]4[n:21][cH:22][n:23]3)[n:7][c:8]2[cH:9][cH:10][cH:11]1

Participants

Reactant 4

HCID 6228Dimethylformamide

HCID 8471Triethylamine

HCID 66111Trimethylsilylacetylene

HCID 86624483Trifluoromethane sulfonic acid 3-(5-methyl-4-oxo-2-(1-[9-(2-trimethylsilanyl-ethoxymethyl)-9H-purin-6-ylamino]-ethyl)-4H-quinazolin-3-yl)-phenyl ester

Product 1

HCID 671035585-Methyl-2-(1-[9-(2-trimethylsilylethoxymethyl)-9H-purin-6-ylamino]ethyl)-3-(3-trimethylsilylethynyiphenyl)-3H-quinazolin-4-one

Sources & evidence

ORD record: ord-e0e572dc6a9840ccba532917931a3b48
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…