HRID691876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID73910

Diphenylphosphinic chloride

C12H10ClOP

HCID22025663

3,4-Difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid

C13H7F3INO2

HCID23398498

未命名化合物

PRODUCTS

生成物

结构：CN(CCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)C(=O)OC(C)(C)C

HCID86591461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c20d374c74c4146bab05af8af7b3c86
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

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