HRID1206142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

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

PRODUCTS

产物

反应SMILES：CS(=O)(=O)CCNCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1

HCID59511427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a2845f90a25e4be48726363b92487ee1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[F:1][C:2]([F:3])([F:4])[C:50]([N: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)[CH2:44][CH2:45][S:46](=[O:47])(=[O:48])[CH3:49])=[O:51].[Li+:53].[OH-:52].[OH2:54].[OH2:60]>>[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)[CH2:44][CH2:45][S:46](=[O:47])(=[O:48])[CH3:49]