HRID1548481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID15718287

未命名化合物

HCID19763368

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(F)cc1OCC1CCN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

HCID19763385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ab6f96ebf484dcd9fcbb84206620bdc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:20][CH2:21][CH2:22][NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[ClH:1].[F:2][c:3]1[cH:4][c:5]([O:18][CH3:19])[c:6]([O:7][CH2:8][CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][c:16]1[F:17].[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:49]>>[F:2][c:3]1[cH:4][c:5]([O:18][CH3:19])[c:6]([O:7][CH2:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:21][CH2:22][NH:23][C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH2:13][CH2:14]2)[cH:15][c:16]1[F:17]