HRID149038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID130500

未命名化合物

HCID288638

5-Methoxybenzofuran-2-carboxylic acid

C10H8O4

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1CC(C)CN(S(=O)(=O)c2ccccn2)CC1O

HCID21036479

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2oc(C(=O)NC(CC(C)C)C(=O)NC3CC(C)CN(S(=O)(=O)c4ccccn4)CC3O)cc2c1

HCID178488269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c37b5ffbe4194e7b89c9bcf182f6a292
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[C:13]([NH:14][CH:15]1[CH:16]([OH:32])[CH2:17][N:18]([S:23](=[O:24])(=[O:25])[c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:19][CH:20]([CH3:22])[CH2:21]1)=[O:33])[CH3:34].[CH3:43][O:44][c:45]1[cH:46][cH:47][c:48]2[c:49]([cH:50][c:51]([C:53]([OH:54])=[O:55])[o:52]2)[cH:56]1.[ClH:35].[ClH:42].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[O:5]=[C:6]([NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[C:13]([NH:14][CH:15]1[CH:16]([OH:32])[CH2:17][N:18]([S:23](=[O:24])(=[O:25])[c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:19][CH:20]([CH3:22])[CH2:21]1)=[O:33])[c:51]1[cH:50][c:49]2[c:48]([cH:47][cH:46][c:45]([O:44][CH3:43])[cH:56]2)[o:52]1