HRID301727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID15413

Methyl tert-butyl ether

C5H12O

HCID11423669

未命名化合物

HCID15072656

1,2,3,4,6,7,8,10a-Octahydropyrimido[1,2-a]azepine

C9H16N2

HCID21884946

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)C(C)(O)CSC(C)(C)C

HCID19428699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72fd9085ddc940e39713c592c4e8a9bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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