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Hydroxide → 4-[4-[4-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]piperidin-1-yl]butanoic acid

HRID 953045
노트
인쇄 미리보기

반응식

HRID 953045 반응식
[Li+:59].[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:54][cH:55][cH:56][cH:57]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([CH:27]3[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:31][CH2:32]3)[CH2:25][CH2:26]2)[CH2:41][c:42]2[cH:43][c:44]([Cl:53])[c:45]([NH2:52])[c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]2)[CH2:13][CH2:14]1.[OH-:58]>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:54][cH:55][cH:56][cH:57]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([CH:27]3[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:31][CH2:32]3)[CH2:25][CH2:26]2)[CH2:41][c:42]2[cH:43][c:44]([Cl:53])[c:45]([NH2:52])[c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]2)[CH2:13][CH2:14]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 961HydroxideHCID 28486Lithium ionHCID 66941509HCID 66941509, 화합물

생성물 1

HCID 669418154-[4-[4-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]piperidin-1-yl]butanoic acid

출처 및 근거

ORD 기록
ord-0aa17321e1114cca9b05d697e90a01f3
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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