HRID200783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)COC(C)(C)O1

HCID67361124

未命名化合物

PRODUCTS

生成物

结构：CC(O)(CO)COc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1

HCID53345566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd083a7121a642788e58cb82af4827b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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