HRID126093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID21131928

未命名化合物

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

HCID57737194

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1cccs1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(CNC(=O)C(F)(F)F)c3)n2)c1

HCID57737203

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

C32H24F3N7O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b571fea46344c5493e07d8ac4f682dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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