HRID1229627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(I)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID21906635

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID21906238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33eb8043b53f4f90b041312be7850d43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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