HRID201932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID69702

Cyclohexanepropionic acid

C9H16O2

HCID18968934

未命名化合物

PRODUCTS

产物

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