HRID2148447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID263166

ethyl 5-(chloromethyl)-2-furoate

C8H9ClO3

结构：c1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1

HCID14012845

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(Cn2c(CC3CCN(Cc4ccccc4)CC3)nc3ccccc32)o1

HCID19734408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f673db2b26a43879d46b2f8a1cda2b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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