HRID1225860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

结构：CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C(=O)C(F)(F)F

HCID57911758

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCNc1ccc(C(=O)C(F)(F)F)c(NC(=O)OC(C)(C)C)n1

HCID57911745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eb88c81f7584b21a0db903bdd3e4cbd
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:22](=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[NH:29][CH2:30][CH2:31][NH2:32].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1.[OH2:52]>>[c:2]1([NH:32][CH2:31][CH2:30][NH:29][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:3][cH:4][c:5]([C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1