HRID1203173

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

HCID8857

Ethyl acetate

C4H8O2

HCID84580

Ethyl 5-bromovalerate

C7H13BrO2

HCID166653

Hydride

H-

结构：Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(O)cc3)cc12

HCID58213550

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCOc1ccc(CCc2cnc3c(N)nc4cc(C)ccc4c3c2)cc1

HCID58213647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b797702e351406eaad0fd2b00b20b23
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

[Br:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[H-:26].[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[cH:7][c:8]([CH2:12][CH2:13][c:14]4[cH:15][cH:16][c:17]([OH:20])[cH:18][cH:19]4)[cH:9][n:10][c:11]13)[cH:21][cH:22][c:23]([CH3:25])[cH:24]2.[Na+:27].[OH2:49]>>[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[cH:7][c:8]([CH2:12][CH2:13][c:14]4[cH:15][cH:16][c:17]([O:20][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:18][cH:19]4)[cH:9][n:10][c:11]13)[cH:21][cH:22][c:23]([CH3:25])[cH:24]2