HRID1152480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8728

Cyclopentane, bromo-

C5H9Br

HCID166653

Hydride

H-

结构：O=C(c1ccc(OCc2ccccc2)cc1)c1n[nH]c2c(C(F)(F)F)cccc12

HCID178519713

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(OCc2ccccc2)cc1)c1nn(C2CCCC2)c2c(C(F)(F)F)cccc12

HCID69064639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d5934ac483941f7ab2c06cf294a252a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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