HRID2138225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID457602

Benzenemethanamine, 3,5-dichloro-

C7H7Cl2N

HCID22490366

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2)(c2ccc(I)cc2)CC1

HCID68534152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2afa215fea554c3fad6c4c25de628c8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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