Dichloromethane → 6-Methoxy-3-((pivaloyloxy)methyl)-7-(2-(pyrrolidin-1-yl)ethoxy)-3,4-dihydroquinazolin-4-one

HRID 2330870Notes

Reaction equation

HRID 2330870 reaction equation
[CH2:62]([Cl:63])[Cl:64].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH:13][c:14]1[c:15]([O:33][CH3:34])[cH:16][c:17]2[c:18](=[O:32])[n:19]([CH2:24][O:25][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:20][n:21][c:22]2[cH:23]1.[OH:35][CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[O:13]([c:14]1[c:15]([O:33][CH3:34])[cH:16][c:17]2[c:18](=[O:32])[n:19]([CH2:24][O:25][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:20][n:21][c:22]2[cH:23]1)[CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 762881-PyrrolidineethanolHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 10804576(7-Hydroxy-6-methoxy-4-oxoquinazolin-3(4H)-yl)methyl pivalate

Product 1

HCID 217172866-Methoxy-3-((pivaloyloxy)methyl)-7-(2-(pyrrolidin-1-yl)ethoxy)-3,4-dihydroquinazolin-4-one

Sources & evidence

ORD record
ord-7b0c5ab0650c427e9fef8083e7c49cf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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