HRID1146804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID737253

4-(4-Methylpiperazino)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(c1ncccc1Nc1cccn2nc(Cl)nc12)S(C)(=O)=O

HCID67481475

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(Nc3nc4c(Nc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1

HCID49838897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdf7a0623a264a70ac8abbcb6892d51e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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