HRID89194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID62406

未命名化合物

HCID22291546

8-{[(2-chloropyridin-3-yl)carbonyl]amino}-1-(4-ethynylphenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

C26H18ClN5O2

PRODUCTS

产物

HCID22291578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cac1ae1a7f124c03945756c3c3cc4ccc
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:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[cH:12][c:13]2[c:14]([cH:33][cH:34]1)[CH2:15][CH2:16][c:17]1[c:18]([C:30](=[O:31])[NH2:32])[n:19][n:20](-[c:22]3[cH:23][cH:24][c:25]([C:28]#[CH:29])[cH:26][cH:27]3)[c:21]1-2.[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:35].[OH:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43]>>[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[cH:12][c:13]2[c:14]([cH:33][cH:34]1)[CH2:15][CH2:16][c:17]1[c:18]([C:30](=[O:31])[NH2:32])[n:19][n:20](-[c:22]3[cH:23][cH:24][c:25]([C:28]([CH3:29])=[O:36])[cH:26][cH:27]3)[c:21]1-2