HRID99478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21988160

2-Methyl-2,3-dihydro-1H-isoindol-5-amine

C9H12N2

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：CN1Cc2ccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)cc2C1

HCID59612560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce78835b65e747fa9857777cf24047e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

[CH3:25][N:26]1[CH2:27][c:28]2[cH:29][cH:30][c:31]([NH2:35])[cH:32][c:33]2[CH2:34]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][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:31]2[cH:30][cH:29][c:28]3[c:33]([cH:32]2)[CH2:34][N:26]([CH3:25])[CH2:27]3)[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