HRID1122777

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：COc1ccc(Cl)cc1C(=O)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CCC1

HCID66851500

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C(=S)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CCC1

HCID86623441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de25fa89420243479fc3b1b02a789622
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

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