HRID150997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8462

4-Chloro-3-nitrobenzotrifluoride

C7H3ClF3NO2

结构：O=[N+]([O-])c1ccccc1Oc1ccc2c(c1)CCC(c1ccccc1)O2

HCID17978475

2-Nitro-1-(2-phenylchroman-6-yloxy)-benzene

C21H17NO4

HCID21287538

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC(c1ccccc1)O2

HCID17978654

2-Nitro-1-(2-phenylchroman-6-yloxy)-4-trifluoromethylbenzene

C22H16F3NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edb7fbea201f4a628bfcfbc1fc1fd8ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:60][S:61]([CH3:62])=[O:63].[Cl:46][c:47]1[cH:48][cH:49][c:50]([C:53]([F:54])([F:55])[F:56])[cH:51][c:52]1[N+:57]([O-:58])=[O:59].[K+:45].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[O:17][CH:16]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:15][CH2:14]3)[cH:6][cH:7][cH:8][cH:9]1.[OH-:44].[OH:27][c:28]1[cH:29][c:30]2[c:31]([cH:32][cH:33]1)[O:34][CH:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:42][CH2:43]2>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[O:17][CH:16]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:15][CH2:14]3)[cH:6][cH:7][c:8]([C:53]([F:54])([F:55])[F:56])[cH:9]1