Sodium Ion → 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl]-4-methylbenzoic acid

반응식

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

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 68603182methyl 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl]-4-methylbenzoate

생성물 1

HCID 686025473-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl]-4-methylbenzoic acid

출처 및 근거

ORD 기록: ord-cb7b5ae65ac14c8c8825cbbbffd56e4c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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