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Tetrahydrofuran → 1-(3-(6-Ethoxy-7-methoxyquinazolin-4-ylthio)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea

HRID 1139183
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인쇄 미리보기

반응식

HRID 1139183 반응식
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([S:16][c:17]3[cH:18][c:19]([NH2:20])[cH:21][cH:22][cH:23]3)[n:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH3:15].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[F:24][C:25]([C:26]([CH3:27])([CH3:28])[c:29]1[cH:30][c:31]([NH:34][C:35]([O:36][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:37])[n:32][o:33]1)([F:44])[F:45]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([S:16][c:17]3[cH:18][c:19]([NH:20][C:35]([NH:34][c:31]4[cH:30][c:29]([C:26]([C:25]([F:24])([F:44])[F:45])([CH3:27])[CH3:28])[o:33][n:32]4)=[O:36])[cH:21][cH:22][cH:23]3)[n:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH3:15]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 668767623-(6-Ethoxy-7-methoxyquinazolin-4-ylthio)anilineHCID 66877298[5-(2,2,2-Trifluoro-1,1-dimethyl-ethyl)-isoxazol-3-yl]-carbamic acid phenyl ester

생성물 1

HCID 582678011-(3-(6-Ethoxy-7-methoxyquinazolin-4-ylthio)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea

출처 및 근거

ORD 기록
ord-f5ad236cf5f24e46abd944e8571b2801
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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