HRID135655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID16035

Ethane, 1-chloro-2-isocyanato-

C3H4ClNO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID210824

N-Benzyl-2-imino-4-methyl-2,3-dihydro-1,3-thiazole-5-carboximidic acid

C12H13N3OS

PRODUCTS

生成物

HCID59481185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb61f7b226774916acff0eef56449302
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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