HRID284413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11241

3-Chloro-2-methylpropene

C4H7Cl

HCID19660

Carbonate

CO3-2

结构：CC1(C)Cc2cc(O)c3c(c2C(c2ccccc2)=N1)CC(C)(C)O3

HCID136336316

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：C=C(C)COc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2

HCID22344321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57f64cb8d61346f098f5ce19e4b8c4e1
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:30](=[O:31])([O-:32])[O-:33].[CH3:1][C:2]1([CH3:24])[N:3]=[C:4]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:5]2[c:6]3[c:7]([c:8]([OH:12])[cH:9][c:10]2[CH2:11]1)[O:13][C:14]([CH3:16])([CH3:17])[CH2:15]3.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:25][CH2:26][C:27](=[CH2:28])[CH3:29].[K+:34].[K+:35].[OH2:36]>>[CH3:1][C:2]1([CH3:24])[N:3]=[C:4]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:5]2[c:6]3[c:7]([c:8]([O:12][CH2:28][C:27](=[CH2:26])[CH3:29])[cH:9][c:10]2[CH2:11]1)[O:13][C:14]([CH3:16])([CH3:17])[CH2:15]3.[ClH:25]