HRID2314658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID253

5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid

C10H16N2O3S

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OCc1ccccc1

HCID58865047

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCCC1SCC2NC(=O)NC21)Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OCc1ccccc1

HCID72447686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-873df6ddde6e4481b8a0ecee8e45456a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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