HRID201861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22197612

1-[(4-Bromophenyl)methyl]-4-methylpiperazine

C12H17BrN2

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

HCID24946987

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

C36H52P2

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

HCID57502376

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cc2)CC1

HCID67481480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15fb4c1b66924adb8608677ca88ebeaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][N:27]2[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]2)[cH:34][cH:35]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:36]1([P:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2-[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[P:56]([CH:57]2[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]2)[CH:63]2[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]2)[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]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][cH:24][c:25]([CH2:26][N:27]4[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]4)[cH:34][cH:35]2)[n:19]3)[cH:9][cH:10]1