HRID310517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID118388

4-Bromobutan-1-ol

C4H9BrO

反应SMILES：COc1cc2c(Oc3cc(C)c(C)nc3-c3ccccn3)ccnc2cc1O

HCID136131621

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(Oc3cc(C)c(C)nc3-c3ccccn3)ccnc2cc1OCCCCO

HCID57756476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-22451c80b0b54d0d91e1c5599b7c66d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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