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Dichloromethane → 1-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-((5-fluoro-2-(1-(2-oxoethyl)-1H-indazol-5-yloxy)phenyl)methyl)urea

HRID 1221404
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HRID 1221404 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:38]2[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][c:15]2[c:16]([O:22][c:23]3[cH:24][c:25]4[cH:26][n:27][n:28]([CH2:32][CH:33]([O:34][CH3:37])[O:35][CH3:36])[c:29]4[cH:30][cH:31]3)[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:9]1.[Cl:50][CH2:51][Cl:52].[I:45][Si:46]([CH3:47])([CH3:48])[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:38]2[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][c:15]2[c:16]([O:22][c:23]3[cH:24][c:25]4[cH:26][n:27][n:28]([CH2:32][CH:33]=[O:34])[c:29]4[cH:30][cH:31]3)[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:9]1
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반응물 3

HCID 6344DichloromethaneHCID 85247Trimethylsilyl iodideHCID 575522961-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-((2-(1-(2,2-dimethoxyethyl)-1H-indazol-5-yloxy)-5-fluorophenyl)methyl)urea

생성물 1

HCID 575522811-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-((5-fluoro-2-(1-(2-oxoethyl)-1H-indazol-5-yloxy)phenyl)methyl)urea

출처 및 근거

ORD 기록
ord-6a44aabc470847c6ab2aa4606875f527
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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