HRID105837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID594590

1H-Indole, 4-(1-piperazinyl)-

C12H15N3

HCID2724942

未命名化合物

HCID10538200

4-(5-Methoxy-1H-indol-3-yl)cyclohexanone

C15H17NO2

PRODUCTS

生成物

结构：COc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1

HCID9910468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0154cf1aca574bbfa904ff5a4e3f00a5
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:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][C:15](=[O:18])[CH2:16][CH2:17]3)[cH:7][nH:8][c:9]2[cH:10][cH:11]1.[CH3:48][C:49](=[O:50])[OH:51].[Cl:52][CH2:53][CH2:54][Cl:55].[Na+:47].[nH:19]1[cH:20][cH:21][c:22]2[c:23]([N:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[cH:24][cH:25][cH:26][c:27]12>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][CH:15]([N:31]4[CH2:30][CH2:29][N:28]([c:23]5[c:22]6[cH:21][cH:20][nH:19][c:27]6[cH:26][cH:25][cH:24]5)[CH2:33][CH2:32]4)[CH2:16][CH2:17]3)[cH:7][nH:8][c:9]2[cH:10][cH:11]1