HRID190960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID253298

2-Furanmethanamine, tetrahydro-

C5H11NO

结构：CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)Cl

HCID13100684

2-[5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoyl chloride

C16H10Cl2F3NO5

PRODUCTS

生成物

结构：CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)NCC1CCCO1

HCID13206465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d360dbf183341aebe0a3f4171657b93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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