HRID685653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID22344609

未命名化合物

HCID178469514

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)c(OC)c1

HCID23076376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee381851caa943a69806aaffd95188fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:42](=[O:43])([O-:44])[O-:45].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:18][CH2:19][c:20]1[cH:21][c:22]([O:40][CH3:41])[c:23]([O:24][CH2:25][c:26]2[n:27][c:28](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[o:29][c:30]2[CH3:31])[cH:38][cH:39]1.[ClH:48].[K+:46].[K+:47].[OH:1][c:2]1[n:3][n:4](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11]>>[O:1]([c:2]1[n:3][n:4](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:19][c:20]1[cH:21][c:22]([O:40][CH3:41])[c:23]([O:24][CH2:25][c:26]2[n:27][c:28](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[o:29][c:30]2[CH3:31])[cH:38][cH:39]1