HRID1543425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5151595

2-Chloro-4-pyridylboronic acid

C5H5BClNO2

结构：CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(S(=O)(=O)C5CC5)CC4)cc3c2)CC1

HCID68535679

(4-Cyclopropanesulfonyl-piperazin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

C24H33N5O4S

PRODUCTS

生成物

结构：CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)C4CC4)CC2)n3-c2ccnc(Cl)c2)CC1

HCID86621935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb32d701212c40d59509e218cab49c6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH:1]1([S:4](=[O:5])(=[O:6])[N:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[c:15]3[nH:16][c:17]4[cH:18][cH:19][c:20]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][N:29]([CH:32]([CH3:33])[CH3:34])[CH2:30][CH2:31]5)[cH:21][c:22]4[cH:23]3)[CH2:11][CH2:12]2)[CH2:2][CH2:3]1.[Cl:35][c:36]1[n:37][cH:38][cH:39][c:40]([B:42]([OH:43])[OH:44])[cH:41]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[N:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[c:15]3[n:16](-[c:40]4[cH:39][cH:38][n:37][c:36]([Cl:35])[cH:41]4)[c:17]4[cH:18][cH:19][c:20]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][N:29]([CH:32]([CH3:33])[CH3:34])[CH2:30][CH2:31]5)[cH:21][c:22]4[cH:23]3)[CH2:11][CH2:12]2)[CH2:2][CH2:3]1