HRID1558398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID244

Benzyl alcohol

C7H8O

HCID6342

Acetonitrile

C2H3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C)OC(=O)NC(Cc1cc(I)ccc1OCc1ccccc1)C(=O)O

HCID66879582

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1cc(I)ccc1OCc1ccccc1)C(=O)OCc1ccccc1

HCID69216902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d577a550e3b4ed5bd26943ac212c568
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:16][CH:17]([C:18](=[O:19])[OH:20])[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:11][c:12]([I:15])[cH:13][cH:14]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:41][C:42]#[N:43].[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[OH:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:16][CH:17]([C:18](=[O:19])[O:20][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:11][c:12]([I:15])[cH:13][cH:14]1