HRID1114380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID150963

2-Mercaptoethylpyridine

C7H9NS

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

结构：COc1cc(-n2cc[nH]c(=O)c2=O)ccc1OCC(C)(C)O

HCID66850727

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ccnc(SCCc3ccccn3)c2=O)ccc1OCC(C)(C)O

HCID25169202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b655204ef3db43d5807c61e25196b5f3
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

[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:1][C:2]([CH2:3][O:4][c:5]1[c:6]([O:19][CH3:20])[cH:7][c:8](-[n:11]2[c:12](=[O:18])[c:13](=[O:17])[nH:14][cH:15][cH:16]2)[cH:9][cH:10]1)([CH3:21])[CH3:22].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][P+:32]([N:33]2[CH2:34][CH2:35][CH2:36][CH2:37]2)([N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[N:43]2[CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[n:56]1[c:57]([CH2:62][CH2:63][SH:64])[cH:58][cH:59][cH:60][cH:61]1>>[OH:1][C:2]([CH2:3][O:4][c:5]1[c:6]([O:19][CH3:20])[cH:7][c:8](-[n:11]2[c:12](=[O:18])[c:13]([S:64][CH2:63][CH2:62][c:57]3[n:56][cH:61][cH:60][cH:59][cH:58]3)[n:14][cH:15][cH:16]2)[cH:9][cH:10]1)([CH3:21])[CH3:22]