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Water → {4-[5-(4-Fluoro-3-trifluoromethyl-phenylcarbamoyl)-naphthalen-2-yloxy]-pyrimidin-2-yl}carbamic acid methyl ester

HRID 1546745
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HRID 1546745 반응식
[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:1][C:2](=[O:3])[O:4][CH3:5].[Cl:38][CH2:39][Cl:40].[F:6][c:7]1[c:8]([C:34]([F:35])([F:36])[F:37])[cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][c:22]([O:26][c:27]4[n:28][c:29]([NH2:33])[n:30][cH:31][cH:32]4)[cH:23][cH:24][c:25]23)[cH:11][cH:12]1.[OH2:53].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[C:2](=[O:3])([O:4][CH3:5])[NH:33][c:29]1[n:28][c:27]([O:26][c:22]2[cH:21][c:20]3[cH:19][cH:18][cH:17][c:16]([C:14]([NH:13][c:10]4[cH:9][c:8]([C:34]([F:35])([F:36])[F:37])[c:7]([F:6])[cH:12][cH:11]4)=[O:15])[c:25]3[cH:24][cH:23]2)[cH:32][cH:31][n:30]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 6586Methyl chloroformateHCID 8857Ethyl AcetateHCID 160715501-Naphthalenecarboxamide, 6-[(2-amino-4-pyrimidinyl)oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-

생성물 1

HCID 23652794
{4-[5-(4-Fluoro-3-trifluoromethyl-phenylcarbamoyl)-naphthalen-2-yloxy]-pyrimidin-2-yl}carbamic acid methyl ester

출처 및 근거

ORD 기록
ord-0b87dfe3ded5458390d60d43912a8066
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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