HRID201932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID69702

Cyclohexanepropionic acid

C9H16O2

结构：CN1C(=S)C(NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21

HCID18968934

未命名化合物

PRODUCTS

生成物

结构：CN1C(=S)C(NC(=O)CCC2CCCCC2)N=C(c2ccccc2)c2ccccc21

HCID15228716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90bddc42b44b410f9c0d343b19c4a2bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BrH:1].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:2][N:3]1[C:4](=[S:31])[CH:5]([NH:20][C:21]([O:22][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:23])[N:6]=[C:7]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:69][C:70](=[O:71])[OH:72].[CH:45]1([CH2:51][CH2:52][C:53]([OH:54])=[O:55])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cl:39][C:40]([C:41]([Cl:42])=[O:43])=[O:44].[Cl:66][CH2:67][Cl:68].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[CH3:2][N:3]1[C:4](=[S:31])[CH:5]([NH:20][C:21](=[O:22])[CH2:52][CH2:51][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[N:6]=[C:7]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2