HRID1549561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：O=C(Cc1cccs1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1

HCID57737194

未命名化合物

反应SMILES：CS(=O)(=O)CCN(Cc1cccc(N)c1)C(=O)C(F)(F)F

HCID59511431

未命名化合物

PRODUCTS

产物

反应SMILES：CS(=O)(=O)CCN(Cc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1)C(=O)C(F)(F)F

HCID57737239

2,2,2-Trifluoro-N-[2-(methylsulfonyl)ethyl]-N-[(3-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenyl)methyl]acetamide

C35H30F3N7O4S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-aaa444d4328c49dea71fa068d2c1e940
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[ClH:64].[NH2:1][c:2]1[cH:3][c:4]([CH2:8][N:9]([C:10]([C:11]([F:12])([F:13])[F:14])=[O:15])[CH2:16][CH2:17][S:18](=[O:19])(=[O:20])[CH3:21])[cH:5][cH:6][cH:7]1.[o:22]1[c:23](-[c:24]2[cH:25][c:26]([NH:27][c:34]3[n:35][cH:36][cH:37][c:38](-[c:40]4[c:41](-[c:49]5[cH:50][c:51]([NH:55][C:56]([CH2:57][c:58]6[s:59][cH:60][cH:61][cH:62]6)=[O:63])[cH:52][cH:53][cH:54]5)[n:42][n:43]5[c:44]4[cH:45][cH:46][cH:47][cH:48]5)[n:39]3)[cH:28][cH:29][cH:30]2)[cH:31][n:32][cH:33]1>>[NH:1]([c:2]1[cH:3][c:4]([CH2:8][N:9]([C:10]([C:11]([F:12])([F:13])[F:14])=[O:15])[CH2:16][CH2:17][S:18](=[O:19])(=[O:20])[CH3:21])[cH:5][cH:6][cH:7]1)[c:34]1[n:35][cH:36][cH:37][c:38](-[c:40]2[c:41](-[c:49]3[cH:50][c:51]([NH:55][C:56]([CH2:57][c:58]4[s:59][cH:60][cH:61][cH:62]4)=[O:63])[cH:52][cH:53][cH:54]3)[n:42][n:43]3[c:44]2[cH:45][cH:46][cH:47][cH:48]3)[n:39]1