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Hydrochloric Acid → Methyl 5-[{(4-[2-(3-{[(2-bromoethyl)amino]carbonyl}phenyl)ethyl]piperidin-1-yl}carbonyl)oxy]nicotinate

HRID 1201123
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인쇄 미리보기

반응식

HRID 1201123 반응식
[Br:2][CH2:3][CH2:4][NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:10][cH:11][cH:12]1)=[O:21].[CH3:45][C:46]#[N:47].[ClH:1].[N+:22]([c:23]1[cH:24][cH:25][c:26]([O:29][C:30](=[O:27])[O:32][c:33]2[cH:34][n:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42]2)[cH:28][cH:31]1)([O-:43])=[O:44]>>[Br:2][CH2:3][CH2:4][NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17][N:18]([C:30](=[O:29])[O:32][c:33]3[cH:34][n:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42]3)[CH2:19][CH2:20]2)[cH:10][cH:11][cH:12]1)=[O:21]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 57421835Methyl 5-{[(4-nitrophenoxy)carbonyl]oxy}nicotinateHCID 57421837N-(2-bromoethyl)-3-(2-piperidin-4-ylethyl)benzamide

생성물 1

HCID 57507765Methyl 5-[{(4-[2-(3-{[(2-bromoethyl)amino]carbonyl}phenyl)ethyl]piperidin-1-yl}carbonyl)oxy]nicotinate

출처 및 근거

ORD 기록
ord-a56910634451462b88126effc5a487d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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