HRID99595

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

HCID150789

Anthracene-1-carboxylic acid

C15H10O2

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

HCID22261479

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2cc3ccccc3cc12

HCID22261463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab5af52e59ad4fe09f7f47c552d72cda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:47](=[O:48])([O-:49])[OH:50].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:18][C:19]([C:20]([Cl:21])=[O:22])=[O:23].[ClH:24].[F:25][c:26]1[cH:27][cH:28][c:29]([CH:32]([CH:33]([CH2:34][c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[NH2:45])[OH:46])[cH:30][cH:31]1.[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:63].[c:1]1([C:15](=[O:16])[OH:17])[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[cH:13][c:14]12>>[c:1]1([C:15](=[O:16])[NH:45][CH:33]([CH:32]([c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[OH:46])[CH2:34][c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[cH:13][c:14]12