HRID809684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID78386

4-(2-Thienyl)butyric acid

C8H10O2S

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc2ccccc12

HCID69553921

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCc1cccs1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc2ccccc12

HCID22261477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1adcbf58d27743519b924ecf085fa5f3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:44](=[O:45])([O-:46])[OH:47].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:12][C:13]([C:14]([Cl:15])=[O:16])=[O:17].[ClH:18].[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:60].[OH:19][CH:20]([CH:21]([CH2:22][c:23]1[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]1)[NH2:33])[c:34]1[cH:35][cH:36][cH:37][c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]12.[s:1]1[c:2]([CH2:6][CH2:7][CH2:8][C:9](=[O:10])[OH:11])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][CH2:7][CH2:8][C:9](=[O:11])[NH:33][CH:21]([CH:20]([OH:19])[c:34]2[cH:35][cH:36][cH:37][c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]23)[CH2:22][c:23]2[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]2)[cH:3][cH:4][cH:5]1