HRID2325159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID658390

3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid

C10H10O3S2

结构：CC(C)(C)OC(=O)N(Cc1cccc(C2CCNCC2)c1)C(=O)OC(C)(C)C

HCID22266157

未命名化合物

PRODUCTS

生成物

结构：CSc1sc(C(=O)N2CCC(c3cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)CC2)c2c1C(=O)CCC2

HCID22266077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-912e387d800e4a15b935fc882fe5c346
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

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