HRID1562237

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+

HCID961

Hydroxide

HO-

HCID1118

Sulfuric acid

H2O4S

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

结构：OC1(c2cccc(C(F)(F)F)c2)CCCN(Cc2ccccc2)C1

HCID20506415

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(=O)OC1(c2cccc(C(F)(F)F)c2)CCCN(Cc2ccccc2)C1

HCID13100544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-665dd2de771a4fb9abf05d5d4a93fce3
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

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