HRID108069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID80264

Thiocarbonyldiimidazole

C7H6N4S

HCID81531

Diisopropylethylamine

C8H19N

HCID66704446

未命名化合物

HCID68714190

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NCCOC(c1cccc(Cl)c1)C1CCCN(C(=S)NC(CC2CCCCC2)CN(C)C(=O)OC(C)(C)C)C1

HCID178502133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aeb4140c5cc4200a184f55c2653e4db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:29][c:30]1[cH:31][c:32]([CH:36]([O:37][CH2:38][CH2:39][NH:40][C:41]([O:42][CH3:43])=[O:44])[CH:45]2[CH2:46][NH:47][CH2:48][CH2:49][CH2:50]2)[cH:33][cH:34][cH:35]1.[NH2:1][CH:2]([CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH3:12])[CH2:13][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[n:51]1([C:56]([n:52]2[cH:53][cH:54][n:55][cH:58]2)=[S:57])[cH:59][cH:60][n:61][cH:62]1>>[NH:1]([CH:2]([CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH3:12])[CH2:13][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[C:56]([N:47]1[CH2:46][CH:45]([CH:36]([c:32]2[cH:31][c:30]([Cl:29])[cH:35][cH:34][cH:33]2)[O:37][CH2:38][CH2:39][NH:40][C:41]([O:42][CH3:43])=[O:44])[CH2:50][CH2:49][CH2:48]1)=[S:57]