Ammonium → 4-[6-(Benzyloxy)-3-(3,4-dimethoxybenzyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]piperidine-1-carbaldehyde

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12](=[O:37])[n:13]([CH2:26][c:27]3[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]3)[c:14](=[O:25])[n:15]([CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[c:16]2[cH:17][cH:18]1.[CH:38](=[O:39])[O-:40].[NH4+:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12](=[O:37])[n:13]([CH2:26][c:27]3[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]3)[c:14](=[O:25])[n:15]([CH:19]3[CH2:20][CH2:21][N:22]([CH:38]=[O:39])[CH2:23][CH2:24]3)[c:16]2[cH:17][cH:18]1

참가 물질

반응물 3

HCID 223Ammonium

HCID 283Formate

HCID 66603393HCID 66603393, 화합물

생성물 1

HCID 595871404-[6-(Benzyloxy)-3-(3,4-dimethoxybenzyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]piperidine-1-carbaldehyde

출처 및 근거

ORD 기록: ord-7a69c84e036d49b7bd7ee3fbc3814943
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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