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1-Butanol → 5-[2-[4-(2-ethoxycarbonylethyl)phenyl]ethyl]-1-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-yl]-1,5-diazacyclooctane

HRID 836631
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인쇄 미리보기

반응식

HRID 836631 반응식
[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH2:7][c:8]1[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]1)[cH:15][cH:16][cH:17][cH:18]2.[CH2:19]([CH3:20])[O:21][C:22](=[O:23])[CH2:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([CH2:32][CH2:33][N:34]2[CH2:35][CH2:36][CH2:37][NH:38][CH2:39][CH2:40][CH2:41]2)[cH:30][cH:31]1.[CH2:47]([OH:48])[CH2:49][CH2:50][CH3:51].[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[c:2]1([N:38]2[CH2:37][CH2:36][CH2:35][N:34]([CH2:33][CH2:32][c:29]3[cH:28][cH:27][c:26]([CH2:25][CH2:24][C:22]([O:21][CH2:19][CH3:20])=[O:23])[cH:31][cH:30]3)[CH2:41][CH2:40][CH2:39]2)[n:3][c:4]2[c:5]([n:6]1[CH2:7][c:8]1[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]1)[cH:15][cH:16][cH:17][cH:18]2
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 2631-ButanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 199575251-[2-[4-(2-Ethoxycarbonylethyl)phenyl]ethyl]-1,5-diazacyclooctaneHCID 199575402-Bromo-1-[(4-fluorophenyl)methyl]-1H-benzimidazole

생성물 1

HCID 19957528
5-[2-[4-(2-ethoxycarbonylethyl)phenyl]ethyl]-1-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-yl]-1,5-diazacyclooctane

출처 및 근거

ORD 기록
ord-9f6f8d59a89b44419b4c8cd45e54dc75
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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