HRID670181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID57437418

未命名化合物

HCID67026927

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)NNC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)n1

HCID67520448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-717fea0f89674cb8a7a234ef3a8d1968
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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