Hydroxide → 3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

반응식

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:45]1)[CH2:8][CH2:9][N:10]([CH:14]1[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][CH:23]([CH2:24][c:25]3[cH:26][c:27]([CH3:40])[c:28]([O:32][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:29]([CH3:31])[cH:30]3)[C:41](=[O:42])[O:43][CH3:44])[CH2:18][CH2:19]1)[C:11](=[O:13])[NH:12]2.[Li+:47].[OH-:46]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:45]1)[CH2:8][CH2:9][N:10]([CH:14]1[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][CH:23]([CH2:24][c:25]3[cH:26][c:27]([CH3:40])[c:28]([O:32][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:29]([CH3:31])[cH:30]3)[C:41](=[O:42])[OH:43])[CH2:18][CH2:19]1)[C:11](=[O:13])[NH:12]2

참가 물질

반응물 3

HCID 961Hydroxide

HCID 28486Lithium ion

HCID 68675981HCID 68675981, 화합물

생성물 1

HCID 686757053-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

출처 및 근거

ORD 기록: ord-8099dd7ab0424ad48532692ad48e051d
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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