HRID139214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：O=C(NOCCO)c1cc(CNCCO)c(F)c(F)c1Nc1ccc(I)cc1F

HCID59348030

未命名化合物

PRODUCTS

生成物

结构：O=C1OCCN(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)C1=O

HCID11664244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fdbf6dea58046eb87551e7256433bc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:35][OH:36].[CH3:37][N:38]([CH:39]=[O:40])[CH3:41].[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[Cl:32][CH2:33][Cl:34].[ClH:31].[F:1][c:2]1[c:3]([NH:21][c:22]2[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][NH:17][CH2:18][CH2:19][OH:20])[c:14]1[F:15].[OH2:30]>>[F:1][c:2]1[c:3]([NH:21][c:22]2[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][N:17]2[CH2:18][CH2:19][O:20][C:35](=[O:30])[C:39]2=[O:40])[c:14]1[F:15]