HRID1540864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4113

Methoxyamine

CH5NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10476

Cyanogen bromide

CBrN

反应SMILES：COC(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1

HCID67214737

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CON=C(N)NCCCC1(c2ccccc2)SC(c2cc(F)ccc2F)=NN1C(=O)C(C)OC

HCID178502880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9a01b14d8a50401990333eff1b3bdc7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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