HRID113708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID27871

Dimethylthiocarbamoyl chloride

C3H6ClNS

HCID66712951

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1OC(=S)N(C)C

HCID86595464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4191a81ca2e84a62bd4601943dd45736
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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