HRID1564573

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

HCID10240948

未命名化合物

HCID22025663

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

C13H7F3INO2

PRODUCTS

生成物

结构：CC1(C)OCC(CONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)O1

HCID22061666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc82b9ff592f4ed38376e143d18dda7d
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

[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:43][C:44]1([CH3:52])[O:45][CH2:46][CH:47]([CH2:49][O:50][NH2:51])[O:48]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[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:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[c:21]1([P:22]([Cl:23])([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)=[O:30])[cH:31][cH:32][cH:33][cH:34][cH:35]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:51][O:50][CH2:49][CH:47]2[CH2:46][O:45][C:44]([CH3:43])([CH3:52])[O:48]2)[cH:8][cH:9][c:10]1[F:11]