HRID303048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1

HCID24946987

([1,1'-Biphenyl]-2,2'-diyl)bis(dicyclohexylphosphane)

C36H52P2

HCID53415329

1-(3-Bromophenyl)-4-methylpiperazine

C11H15BrN2

结构：CS(=O)(=O)c1ccc(-c2cccn3nc(N)nc23)cc1

HCID57502376

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1

HCID57336812

8-[4-(Methanesulfonyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H26N6O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13385ab6397241d6b59f116ac9cac5a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:21][c:22]1[cH:23][c:24]([N:28]2[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]2)[cH:25][cH:26][cH:27]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH2:20])[n:19]3)[cH:9][cH:10]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[P:55]([CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[CH:62]2[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]2)[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:22]2[cH:23][c:24]([N:28]4[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]4)[cH:25][cH:26][cH:27]2)[n:19]3)[cH:9][cH:10]1