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Chloride → (4-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-[1,2,3]triazol-1-yl)-acetic acid

HRID 308376
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반응식

HRID 308376 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[n:7][n:8][c:9](-[c:11]2[cH:12][c:13]([C:18]([c:19]3[c:20]([Cl:34])[cH:21][c:22]([NH:25][c:26]4[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:23][cH:24]3)=[O:35])[c:14]([CH3:17])[cH:15][cH:16]2)[cH:10]1)=[O:36].[CH3:42][OH:43].[Cl-:39].[ClH:41].[Li+:38].[Na+:40].[OH-:37].[OH2:44]>>[O:3]=[C:4]([CH2:5][n:6]1[n:7][n:8][c:9](-[c:11]2[cH:12][c:13]([C:18]([c:19]3[c:20]([Cl:34])[cH:21][c:22]([NH:25][c:26]4[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:23][cH:24]3)=[O:35])[c:14]([CH3:17])[cH:15][cH:16]2)[cH:10]1)[OH:36]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 28486Lithium Cation
HCID 11519102
(4-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-[1,2,3]triazol-1-yl)-acetic acid ethyl ester

생성물 1

HCID 11496723(4-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-[1,2,3]triazol-1-yl)-acetic acid

출처 및 근거

ORD 기록
ord-b4ea2807a6c543f696f1df2dd83dd64e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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