HRID698542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID867

Propanedioic acid

C3H4O4

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9731

4-Fluoroaniline

C6H6FN

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID4341843

3-[(4-Fluorophenyl)amino]-3-oxopropanoic acid

C9H8FNO3

HCID59424430

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)Nc1ccc(F)cc1

HCID24983260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce9a23075d9d423c82f3011684413b70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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