HRID2141019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID225438

2,5-Dichlorothiophene-3-carboxylic acid

C5H2Cl2O2S

HCID17984622

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCc1ccc(O)cc1CNC(=O)c1cc(Cl)sc1Cl

HCID58979103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbdb2514a3b146c3921a1d41a420b17c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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