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Acetic Acid → 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-4-(2-hydroxy-ethoxy)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 1563487
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반응식

HRID 1563487 반응식
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:49][C:50](=[O:51])[OH:52].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][C:11](=[O:12])[c:13]2[n:14][c:15]3[c:16]([n:17]2[CH2:18][C:19]([NH:20][c:21]2[n:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)=[O:28])[cH:29][cH:30][cH:31][c:32]3[O:33][CH2:34][CH2:35][O:36][Si:37]([C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])[CH3:43])[CH2:8][CH2:9]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][C:11](=[O:12])[c:13]2[n:14][c:15]3[c:16]([n:17]2[CH2:18][C:19]([NH:20][c:21]2[n:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)=[O:28])[cH:29][cH:30][cH:31][c:32]3[O:33][CH2:34][CH2:35][OH:36])[CH2:8][CH2:9]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 3

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 865958834-[2-(tert-Butyl-dimethyl-silanyloxy)-ethoxy]-1-[(5-chloro-pyridin-2-ylcarbamoyl)-methyl]-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

생성물 1

HCID 670132371-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-4-(2-hydroxy-ethoxy)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

출처 및 근거

ORD 기록
ord-c8e450851f0e40b185060db3c11b1000
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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