HRID295127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：O=C(OCc1ccccc1)c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c2F)cc1

HCID10875244

未命名化合物

HCID178526698

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc([N+](=O)[O-])c(OCc5ccccc5)c4)c(F)c3F)c(F)c2F)cc1

HCID11814689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-937a5f60595c4838845e7a7fb20b72e8
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[c:17]([F:36])[c:18]([F:35])[c:19](-[c:24]3[c:25]([F:34])[c:26]([F:33])[c:27]([F:32])[c:28]([F:31])[c:29]3[F:30])[c:20]([F:23])[c:21]2[F:22])[cH:37][cH:38]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[K+:57].[N+:39](=[O:40])([O-:41])[c:42]1[c:43]([O:49][CH2:50][c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:44][c:45]([O-:46])[cH:47][cH:48]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[c:17]([F:36])[c:18]([F:35])[c:19](-[c:24]3[c:25]([F:34])[c:26]([F:33])[c:27]([O:46][c:45]4[cH:44][c:43]([O:49][CH2:50][c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[c:42]([N+:39](=[O:40])[O-:41])[cH:48][cH:47]4)[c:28]([F:31])[c:29]3[F:30])[c:20]([F:23])[c:21]2[F:22])[cH:37][cH:38]1