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Water → N-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide

HRID 1553444
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HRID 1553444 반응식
[CH3:21][C:22]1([CH3:30])[O:23][CH2:24][CH:25]([CH2:27][O:28][NH2:29])[O:26]1.[CH3:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[F:1][c:2]1[c:3]([NH:12][c:13]2[c:14]([F:20])[cH:15][c:16]([I:19])[cH:17][cH:18]2)[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58].[c:38]1([P:39]([Cl:40])([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[F:1][c:2]1[c:3]([NH:12][c:13]2[c:14]([F:20])[cH:15][c:16]([I:19])[cH:17][cH:18]2)[c:4]([C:5](=[O:7])[NH:29][O:28][CH2:27][CH:25]2[CH2:24][O:23][C:22]([CH3:21])([CH3:30])[O:26]2)[cH:8][cH:9][c:10]1[F:11]
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반응물 6

HCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 73910Diphenylphosphinic chlorideHCID 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamineHCID 220256632-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acid

생성물 1

HCID 22061666
N-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide

출처 및 근거

ORD 기록
ord-12f260af7f324570a81c2f7f139fe533
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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