HRID116729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID4133

Methyl salicylate

C8H8O3

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：COC(=O)c1ccccc1OCCc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID86594950

未命名化合物

PRODUCTS

生成物

HCID86594949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82efb6bbd47a47d5a65d5d5fe818ffc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([O:2][CH3:3])(=[O:4])[c:5]1[c:6]([OH:11])[cH:7][cH:8][cH:9][cH:10]1.[C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[NH:50][c:51]1[s:52][cH:53][c:54]([CH2:56][CH2:57][O:58][c:59]2[c:60]([C:61](=[O:62])[O:63][CH3:64])[cH:65][cH:66][cH:67][cH:68]2)[n:55]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:75][OH:76].[ClH:69].[c:12]1([P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH2:50][c:51]1[s:52][cH:53][c:54]([CH2:56][CH2:57][O:58][c:59]2[c:60]([C:61](=[O:62])[O:63][CH3:64])[cH:65][cH:66][cH:67][cH:68]2)[n:55]1