HRID198787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11564613

3-(4-Methylpiperazin-1-yl)aniline

C11H17N3

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

HCID24946987

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

C36H52P2

结构：CN(c1ccccc1CNc1cccn2nc(Cl)nc12)S(C)(=O)=O

HCID67479080

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1

HCID59612348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e991f74d0c104be58c5506bca9e15fdc
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

[CH3:25][N:26]1[CH2:27][CH2:28][N:29]([c:32]2[cH:33][c:34]([NH2:35])[cH:36][cH:37][cH:38]2)[CH2:30][CH2:31]1.[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2-[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[P:59]([CH:60]2[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]2)[CH:66]2[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]2)[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6]([NH:10][CH2:11][c:12]3[c:13]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:24]1>>[c:2]1([NH:35][c:34]2[cH:33][c:32]([N:29]3[CH2:28][CH2:27][N:26]([CH3:25])[CH2:31][CH2:30]3)[cH:38][cH:37][cH:36]2)[n:3][n:4]2[c:5]([c:6]([NH:10][CH2:11][c:12]3[c:13]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:24]1