HRID92205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

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

HCID57737194

未命名化合物

HCID59511384

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1cccs1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CC(NC(=O)C(F)(F)F)C4)n2)c1

HCID57737177

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

C34H26F3N7O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3c937ea8a134762afe7cbd5feccddea
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

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