HRID1117513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID23994

Zinc

HCID17978558

未命名化合物

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

PRODUCTS

生成物

结构：Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC(c1ccccc1)O2

HCID17978500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a47df47de254558aa4f21ac77c1a907
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

[CH3:55][C:56](=[O:57])[OH:58].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([O:14][c:15]2[cH:16][c:17]3[c:22]([cH:23][cH:24]2)[O:21][CH:20]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:19][CH2:18]3)[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[Zn:59].[c:31]1([CH:32]2[CH2:33][CH2:34][c:35]3[c:36]([cH:37][cH:38][c:39]([O:40][c:41]4[cH:42][cH:43][cH:44][cH:45][c:46]4[NH2:47])[cH:48]3)[O:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[NH2:1][c:4]1[c:5]([O:14][c:15]2[cH:16][c:17]3[c:22]([cH:23][cH:24]2)[O:21][CH:20]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:19][CH2:18]3)[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1