HRID98036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CCOP(=O)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC

HCID10573715

Diethyl(triphenylphosphoranylidene)methylphosphonate

C23H26O3P2

结构：CC1(C)OC2C(CO)OC(n3nnc4c(NC(=O)c5ccccc5)ncnc43)C2O1

HCID68592696

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(C=CC1OC(n2nnc3c(NC(=O)c4ccccc4)ncnc32)C2OC(C)(C)OC12)OCC

HCID72247373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21035b3bbafd44b9bca58dcabfcf69a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:52]([CH3:53])[O:54][P:55]([O:56][CH2:57][CH3:58])(=[O:59])[CH:60]=[P:61]([c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)([c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:80][S:81]([CH3:82])=[O:83].[CH:31]1([N:32]=[C:33]=[N:34][CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[Cl:84][CH2:85][Cl:86].[OH:1][CH2:2][CH:3]1[O:4][CH:5]([n:13]2[n:14][n:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[NH:22][C:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)=[O:30])[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH:2]([CH:3]1[O:4][CH:5]([n:13]2[n:14][n:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[NH:22][C:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)=[O:30])[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2)=[CH:60][P:55]([O:54][CH2:52][CH3:53])([O:56][CH2:57][CH3:58])=[O:59]