HRID202948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID123625817

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC(CSC1C(=O)N(c2ccc(C#CCNS(C)(=O)=O)cc2)C1c1ccc(OCC(=O)O)cc1)c1ccc(F)cc1

HCID178455304

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCC(NC(=O)CNC(=O)COc1ccc(C2C(SCC(O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(C#CCNS(C)(=O)=O)cc2)cc1)C(=O)O

HCID178453412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93bdb506169442ec9bb06bfda9246a7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:56]([F:57])([F:58])([F:59])[F:60].[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][S:9][CH:10]1[CH:11]([c:29]2[cH:30][cH:31][c:32]([O:33][CH2:34][C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[N:12]([c:15]2[cH:16][cH:17][c:18]([C:21]#[C:22][CH2:23][NH:24][S:25](=[O:26])(=[O:27])[CH3:28])[cH:19][cH:20]2)[C:13]1=[O:14])[c:40]1[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]1)([CH3:47])[CH3:48].[CH3:49][N:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[NH2:78][CH2:79][C:80](=[O:81])[NH:82][CH:83]([CH2:84][CH2:85][CH2:86][CH2:87][NH:88][C:89](=[O:90])[O:91][C:92]([CH3:93])([CH3:94])[CH3:95])[C:96](=[O:97])[OH:98].[O:99]=[CH:100][N:101]([CH3:102])[CH3:103].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][S:9][CH:10]1[CH:11]([c:29]2[cH:30][cH:31][c:32]([O:33][CH2:34][C:35](=[O:37])[NH:78][CH2:79][C:80](=[O:81])[NH:82][CH:83]([CH2:84][CH2:85][CH2:86][CH2:87][NH:88][C:89](=[O:90])[O:91][C:92]([CH3:93])([CH3:94])[CH3:95])[C:96](=[O:97])[OH:98])[cH:38][cH:39]2)[N:12]([c:15]2[cH:16][cH:17][c:18]([C:21]#[C:22][CH2:23][NH:24][S:25](=[O:26])(=[O:27])[CH3:28])[cH:19][cH:20]2)[C:13]1=[O:14])[c:40]1[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]1)([CH3:47])[CH3:48]