Sodium Ion → 4-methyl-3-[6-(4-(2-methoxyethyl)piperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzoic acid

반응식

[CH3:1][c:2]1[c:3](-[n:12]2[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([N:23]4[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][O:31][CH3:32])[CH2:27][CH2:28]4)[cH:19][c:20]3[c:21]2=[O:22])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[Na+:34].[OH-:33]>>[CH3:1][c:2]1[c:3](-[n:12]2[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([N:23]4[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][O:31][CH3:32])[CH2:27][CH2:28]4)[cH:19][c:20]3[c:21]2=[O:22])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:10][cH:11]1

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 68603298methyl 4-methyl-3-[6-(4-(2-methoxyethyl)piperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzoate

생성물 1

HCID 686032744-methyl-3-[6-(4-(2-methoxyethyl)piperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzoic acid

출처 및 근거

ORD 기록: ord-29918b7d4a0e42908e916ee5c52c1684
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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