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Toluene → 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H-pyrazole-3-carboxylic acid

HRID 287412
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인쇄 미리보기

반응식

HRID 287412 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][n:10]([CH2:22][C:23]([NH:24][c:25]2[n:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)=[O:32])[c:11]([CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH3:21])[cH:12]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:40][CH2:41][Cl:42].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[O:5]=[C:6]([OH:7])[c:8]1[n:9][n:10]([CH2:22][C:23]([NH:24][c:25]2[n:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)=[O:32])[c:11]([CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH3:21])[cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 602079661-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H-pyrazole-3-carboxylic acid tert-butyl ester

생성물 1

HCID 574744141-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H-pyrazole-3-carboxylic acid

출처 및 근거

ORD 기록
ord-edb0ddbb3de54e6d8f68ab9ae3726008
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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