HRID1541966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8058

n-Hexane

C6H14

HCID590220

2-Methyl-2H-indazol-6-amine

C8H9N3

HCID23118993

未命名化合物

PRODUCTS

生成物

结构：Cn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(Br)c3)cc2n1

HCID23118972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-023daa59d7fc49cd8cc434bee5c25d79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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