HRID1208313

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

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID13399

1H-Indazol-3-amine

C7H7N3

HCID17979390

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CC2)n1

HCID10475775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97982401025e49af99f23f3c1b44881e
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

[C:32](=[O:33])([OH:34])[O-:35].[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[Cl:1][c:2]1[n:3][c:4](-[c:11]2[c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][cH:14][cH:15][cH:16]2)[n:5][c:6]([CH:8]2[CH2:9][CH2:10]2)[cH:7]1.[Na+:36].[OH2:31].[nH:21]1[n:22][c:23]([NH2:30])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12>>[c:2]1([NH:30][c:23]2[n:22][nH:21][c:29]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[n:3][c:4](-[c:11]2[c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][cH:14][cH:15][cH:16]2)[n:5][c:6]([CH:8]2[CH2:9][CH2:10]2)[cH:7]1