HRID1200407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID166653

Hydride

H-

结构：O=c1[nH]c2c(C(F)(F)F)ccnc2n1-c1ccc(OCc2ccccc2)cc1

HCID58577725

未命名化合物

PRODUCTS

生成物

结构：CCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2nccc(C(F)(F)F)c21

HCID58577723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69f4f3359e4449029696a7164a2f8ad6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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