HRID160417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

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

PRODUCTS

生成物

结构：NCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1

HCID57737182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89ae80f24a5746cdb5bfd1977466f48f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[Cl:55][CH2:56][Cl:57].[F:1][C:2]([F:3])([F:4])[C:44]([NH:5][CH2:6][c:7]1[cH:8][c:9]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[c:21](-[c:29]4[cH:30][c:31]([NH:35][C:36]([CH2:37][c:38]5[s:39][cH:40][cH:41][cH:42]5)=[O:43])[cH:32][cH:33][cH:34]4)[n:22][n:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[n:19]2)[cH:10][cH:11][cH:12]1)=[O:45].[Li+:47].[OH-:46].[OH2:48].[OH2:54]>>[NH2:5][CH2:6][c:7]1[cH:8][c:9]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[c:21](-[c:29]4[cH:30][c:31]([NH:35][C:36]([CH2:37][c:38]5[s:39][cH:40][cH:41][cH:42]5)=[O:43])[cH:32][cH:33][cH:34]4)[n:22][n:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[n:19]2)[cH:10][cH:11][cH:12]1