HRID135137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID24290

未命名化合物

HCID75994

1-Benzylpiperazine

C11H16N2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

2 次

HCID4574913

未命名化合物

HCID53433826

未命名化合物

PRODUCTS

生成物

结构：c1ccc(CN2CCN(c3ccc4c(cnn4C4CCCCO4)c3)CC2)cc1

HCID69430818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce49008e00f44406b36a2e6a3d7e98ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:8]2[cH:9][cH:10]1.[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Na+:35].[OH2:36].[Pd:44]([Cl:45])[Cl:46].[c:47]1([CH3:48])[cH:49][cH:50][cH:51][cH:52][c:53]1[P:54]([c:55]1[cH:56][cH:57][cH:58][cH:59][c:60]1[CH3:61])[c:62]1[cH:63][cH:64][cH:65][cH:66][c:67]1[CH3:68].[c:69]1([CH3:70])[cH:71][cH:72][cH:73][cH:74][c:75]1[P:76]([c:77]1[cH:78][cH:79][cH:80][cH:81][c:82]1[CH3:83])[c:84]1[cH:85][cH:86][cH:87][cH:88][c:89]1[CH3:90]>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:29][CH2:28]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:8]2[cH:9][cH:10]1