HRID93955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8857

Ethyl Acetate

C4H8O2

HCID68522

Benzene, (3-bromopropoxy)-

C9H11BrO

HCID81531

Diisopropylethylamine

C8H19N

HCID57666278

未命名化合物

PRODUCTS

产物

HCID11992223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-84c834b6a1664290bd8633b939460d32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH2:17][c:18]3[c:19]([O:27][CH3:28])[cH:20][cH:21][c:22]([N+:24](=[O:25])[O-:26])[cH:23]3)[C:14](=[O:16])[O:15]2)[CH2:29][CH2:30]1)([CH3:5])([CH3:6])[CH3:7].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:58][CH2:59][Cl:60].[O:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH2:54][CH2:55][CH2:56][Br:57].[OH2:67].[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[N:8]1([CH2:56][CH2:55][CH2:54][O:47][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH2:17][c:18]3[c:19]([O:27][CH3:28])[cH:20][cH:21][c:22]([N+:24](=[O:25])[O-:26])[cH:23]3)[C:14](=[O:16])[O:15]2)[CH2:29][CH2:30]1