HRID300675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75297

Isothiocyanatotrimethylsilane

C4H9NSSi

HCID81531

Diisopropylethylamine

C8H19N

HCID122205

未命名化合物

PRODUCTS

生成物

HCID5371761

Nec-1i

C12H11N3OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-714b9358b9654112a6d6d866ca30aa90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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