HRID150230

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

HCID11424434

3-Methyl-4-[(6-methylpyridin-3-yl)oxy]aniline

C13H14N2O

HCID71303347

4-Chloro-6-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidine

C10H6ClN3O

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc(Nc3ncnc4cc(-c5ccco5)[nH]c34)cc2C)cn1

HCID57597196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01e4352e9e23430d8b8319d8a36d5447
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

[C:39](=[O:40])([O-:41])[OH:42].[CH3:16][c:17]1[cH:18][c:19]([NH2:20])[cH:21][cH:22][c:23]1[O:24][c:25]1[cH:26][n:27][c:28]([CH3:31])[cH:29][cH:30]1.[CH3:32][N:33]1[CH2:34][CH2:35][CH2:36][C:37]1=[O:38].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[nH:10]2.[Na+:43].[OH2:44]>>[c:2]1([NH:20][c:19]2[cH:18][c:17]([CH3:16])[c:23]([O:24][c:25]3[cH:26][n:27][c:28]([CH3:31])[cH:29][cH:30]3)[cH:22][cH:21]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[nH:10]2