HRID937830

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：CC1C(Nc2cnn(CC(=O)NCc3ccncc3)c(=O)c2Br)CC2CC1C2(C)C

HCID70830954

未命名化合物

PRODUCTS

生成物

结构：CC1C(Nc2cnn(CC(=S)NCc3ccncc3)c(=O)c2Br)CC2CC1C2(C)C

HCID178430060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b72572485574a17bf0d9b6fa875e1d6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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