HRID114415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)OCc1ccccc1C(OS(C)(=O)=O)c1cc(F)ccc1OCc1ccccc1

HCID86682589

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(OCc2ccccc2)c(C2c3ccccc3CN2Cc2ccccc2)c1

HCID86682590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79af968b4e2c4d7a97c14840b1e72b28
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:16]([c:17]2[c:18]([CH2:19][O:29][S:30]([CH3:31])(=[O:32])=[O:33])[cH:25][cH:26][cH:27][cH:28]2)[O:20][S:21]([CH3:22])(=[O:23])=[O:24])[cH:11][c:12]([F:15])[cH:13][cH:14]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[NH2:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:16]2[c:17]3[c:18]([cH:25][cH:26][cH:27][cH:28]3)[CH2:19][N:34]2[CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:11][c:12]([F:15])[cH:13][cH:14]1