HRID2137483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7237

o-Xylene

C8H10

HCID239799

3-oxabicyclo[3.2.1]octane-2,4-dione

C7H8O3

HCID11162411

4-[3-(Trifluoromethyl)phenyl]-1-piperazinebutanamine

C15H22F3N3

PRODUCTS

生成物

结构：O=C1C2CCC(C2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

HCID14156367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-416300f62f064739ad4fe1b714f32a30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:32]([Cl:33])[Cl:34].[CH:1]12[CH2:2][CH:3]([CH2:4][CH2:5]1)[C:6](=[O:7])[O:8][C:9]2=[O:10].[NH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][N:19]([c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1.[OH2:43].[c:35]1([CH3:36])[c:37]([CH3:38])[cH:39][cH:40][cH:41][cH:42]1>>[CH:1]12[CH2:2][CH:3]([CH2:4][CH2:5]1)[C:6](=[O:8])[N:11]([CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][N:19]([c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]1)[C:9]2=[O:10]