HRID319026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)c(=O)c2cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc2n3C)C1

HCID46851181

未命名化合物

PRODUCTS

生成物

结构：CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)c(=S)c2cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc2n3C)C1

HCID59355205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4301551563b9411180a0c5dc0e13cb3b
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

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