Dichloromethane → 6-methoxy-7-(2-(N-methyl-N-(t-butylcarbonyl)amino)ethoxy)-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one

HRID 1558358Notes

Reaction equation

HRID 1558358 reaction equation
[CH2:65]([Cl:66])[Cl:67].[CH3:54][N:55]([C:56](=[O:57])[C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:62][CH2:63][OH: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.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]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)[CH2:63][CH2:62][N:55]([CH3:54])[C:56](=[O:57])[C:58]([CH3:59])([CH3:60])[CH3:61]

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 10804576(7-Hydroxy-6-methoxy-4-oxoquinazolin-3(4H)-yl)methyl pivalateHCID 187534762-(N-methyl-N-(t-butylcarbonyl)amino)ethanol

Product 1

HCID 226249226-methoxy-7-(2-(N-methyl-N-(t-butylcarbonyl)amino)ethoxy)-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one

Sources & evidence

ORD record
ord-5d00dc6b5b6c46e19212d1aa447caf98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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