HRID2321047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21959529

4-(1-Methylpiperidin-4-yl)aniline

C12H18N2

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

HCID24946987

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

C36H52P2

HCID67478992

[1,2,4]Triazolo[1,5-a]pyridin-8-amine, 2-chloro-N-[2-(methylsulfonyl)phenyl]-

C13H11ClN4O2S

PRODUCTS

生成物

结构：CN1CCC(c2ccc(Nc3nc4c(Nc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1

HCID67478956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a985d929bc0e440699498853c0084949
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:22][N:23]1[CH2:24][CH2:25][CH:26]([c:29]2[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]2)[CH2:27][CH2:28]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.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6]([NH:10][c:11]3[c:12]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:13][cH:14][cH:15][cH:16]3)[cH:7][cH:8][cH:9]2)[n:21]1>>[c:2]1([NH:35][c:32]2[cH:31][cH:30][c:29]([CH:26]3[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]3)[cH:34][cH:33]2)[n:3][n:4]2[c:5]([c:6]([NH:10][c:11]3[c:12]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:13][cH:14][cH:15][cH:16]3)[cH:7][cH:8][cH:9]2)[n:21]1