HRID1146750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID118889

Benzenamine, 3-iodo-4-methyl- (9CI)

C7H8IN

反应SMILES：CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1

HCID22492859

4-[1-(tert-Butoxycarbonyl)piperidin-4-yl]benzoic acid

C17H23NO4

PRODUCTS

产物

反应SMILES：Cc1ccc(NC(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1I

HCID67377609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e27ba10270734c85b8dc672999538dc9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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