HRID806829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID16028

Tetrabutylammonium

C16H36N+

HCID81531

Diisopropylethylamine

C8H19N

HCID88747

2-(Piperazin-1-yl)pyrimidine

C8H12N4

HCID498716

未命名化合物

HCID4136021

8-Methoxy-2-tetralone

C11H12O2

PRODUCTS

产物

反应SMILES：COc1cccc2c1CC(N1CCN(c3ncccn3)CC1)CC2

HCID14479998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c3b8aa0e00f34f3a821ffe1b433444de
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:48]([BH3-:49])#[N:50].[CH2:51]([N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:12]1[CH2:11][C:10](=[O:13])[CH2:9][CH2:8]2.[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[ClH:14].[ClH:15].[OH2:75].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1.[n:16]1[c:17]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[n:18][cH:19][cH:20][cH:21]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:12]1[CH2:11][CH:10]([N:25]1[CH2:24][CH2:23][N:22]([c:17]3[n:16][cH:21][cH:20][cH:19][n:18]3)[CH2:27][CH2:26]1)[CH2:9][CH2:8]2