Dimethyl Sulfoxide → tert-butyl 5-(2-[(3-phenyl)phenyl)-7-methoxy-6-(2-(4-methyl-1,4-diazepan-1-yl)ethoxy)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

HRID 93755

반응식

HRID 93755 반응식
[CH3:46][N:47]1[CH2:48][CH2:49][NH:50][CH2:51][CH2:52][CH2:53]1.[CH3:54][S:55]([CH3:56])=[O:57].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8]([NH:29][c:30]3[cH:31][c:32]4[cH:33][n:34][n:35]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:36]4[cH:37][cH:38]3)[n:9][c:10](-[c:17]3[cH:18][c:19](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:20][cH:21][cH:22]3)[n:11][c:12]2[cH:13][c:14]1[O:15][CH3:16]>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8]([NH:29][c:30]3[cH:31][c:32]4[cH:33][n:34][n:35]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:36]4[cH:37][cH:38]3)[n:9][c:10](-[c:17]3[cH:18][c:19](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:20][cH:21][cH:22]3)[n:11][c:12]2[cH:13][c:14]1[O:15][CH3:16])[N:50]1[CH2:49][CH2:48][N:47]([CH3:46])[CH2:53][CH2:52][CH2:51]1

참가 물질

4

반응물 3

HCID 679Dimethyl SulfoxideHCID 2283491-MethylhomopiperazineHCID 59361996tert-butyl 5-(6-(2-chloroethoxy)-2-[(3-phenyl)phenyl)-7-methoxyquinazolin-4-ylamino)-1H-indazole-1-carboxylate

생성물 1

HCID 56949466tert-butyl 5-(2-[(3-phenyl)phenyl)-7-methoxy-6-(2-(4-methyl-1,4-diazepan-1-yl)ethoxy)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

출처 및 근거

ORD 기록
ord-b41f97a147c6426f837571162997bd86
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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