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Hydroxide → 4-{3-[2-(4-Chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-ureido}-3-methyl-benzoic acid

HRID 2338662
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반응식

HRID 2338662 반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH3:36])[c:7]([NH:10][C:11](=[O:12])[N:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:20]2[n:21](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[n:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:8][cH:9]1)=[O:37].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl:40][CH2:41][Cl:42].[Li+:38].[OH-:39]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([CH3:36])[c:7]([NH:10][C:11](=[O:12])[N:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:20]2[n:21](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[n:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:8][cH:9]1)[OH:37]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 961HydroxideHCID 6344DichloromethaneHCID 8900HeptaneHCID 28486Lithium ionHCID 669055144-{3-[2-(4-Chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-ureido}-3-methyl-benzoic acid methyl ester

생성물 1

HCID 451110284-{3-[2-(4-Chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-ureido}-3-methyl-benzoic acid

출처 및 근거

ORD 기록
ord-27302c3e41e04013b276c6a8e257a1ae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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