HRID312219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

HCID5975

Cyanide

CN-

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID67158923

未命名化合物

HCID178481725

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(C(=O)c2c(C3CC3)nn(C)c2O)ccc(Cl)c1SCC1CC1

HCID178428795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-31ed6279c0374a3dbd5d712a22b2e561
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-:53]#[N:54].[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][C:48]([CH3:49])([OH:50])[C:51]#[N:52].[CH3:56][C:57]#[N:58].[CH:1]1([c:4]2[n:5][n:6]([CH3:10])[c:7]([OH:9])[cH:8]2)[CH2:2][CH2:3]1.[Cl:11][c:12]1[c:13]([S:22][CH2:23][CH:24]2[CH2:25][CH2:26]2)[c:14]([CH3:21])[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1.[Cl:59][CH2:60][Cl:61].[ClH:27].[ClH:39].[K+:55]>>[CH:1]1([c:4]2[n:5][n:6]([CH3:10])[c:7]([OH:9])[c:8]2[C:16]([c:15]2[c:14]([CH3:21])[c:13]([S:22][CH2:23][CH:24]3[CH2:25][CH2:26]3)[c:12]([Cl:11])[cH:20][cH:19]2)=[O:17])[CH2:2][CH2:3]1