HRID1153524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1

HCID2797577

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(N2CCCCC2)c(NC(=S)c2ccncc2)c1

HCID23149645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1ada3ed89e54ba7b68ce597f290a468
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

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