HRID168423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2782723

2-(3,5-Difluorophenyl)Ethanoyl Chloride

C8H5ClF2O

结构：CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(I)cc2)CC1

HCID20779474

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNC(=O)Cc2cc(F)cc(F)c2)(c2ccc(I)cc2)CC1

HCID68530604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6fd950978564348a3b2dbfdb7dcbecb
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17]([I:20])[cH:18][cH:19]2)([CH2:21][NH2:22])[CH2:12][CH2:13]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:41][CH2:42][Cl:43].[F:23][c:24]1[cH:25][c:26]([CH2:31][C:32](=[O:33])[Cl:34])[cH:27][c:28]([F:30])[cH:29]1.[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17]([I:20])[cH:18][cH:19]2)([CH2:21][NH:22][C:32]([CH2:31][c:26]2[cH:25][c:24]([F:23])[cH:29][c:28]([F:30])[cH:27]2)=[O:33])[CH2:12][CH2:13]1