HRID304025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID12308

3-Bromo-1-propanol

C3H7BrO

HCID19660

Carbonate

CO3-2

反应SMILES：COc1cc2c(Oc3cc(C)c(C)nc3-c3nc(C)c(C)s3)ccnc2cc1O

HCID136131616

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(Oc3cc(C)c(C)nc3-c3nc(C)c(C)s3)ccnc2cc1OCCCO

HCID57756398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-791b94445e124c759743616cbc9c5d88
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:36][CH2:37][CH2:38][CH2:39][OH:40].[C:30](=[O:31])([O-:32])[O-:33].[CH3:1][c:2]1[n:3][c:4](-[c:8]2[n:9][c:10]([CH3:29])[c:11]([CH3:28])[cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][n:18][c:19]3[cH:20][c:21]([OH:27])[c:22]([O:25][CH3:26])[cH:23][c:24]23)[s:5][c:6]1[CH3:7].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[K+:34].[K+:35]>>[CH3:1][c:2]1[n:3][c:4](-[c:8]2[n:9][c:10]([CH3:29])[c:11]([CH3:28])[cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][n:18][c:19]3[cH:20][c:21]([O:27][CH2:37][CH2:38][CH2:39][OH:40])[c:22]([O:25][CH3:26])[cH:23][c:24]23)[s:5][c:6]1[CH3:7]