HRID1231126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID22132384

Azetidine-3-carbonitrile

C4H6N2

结构：COc1ccnc2cc(-c3cnc4c(n3)c(C(=O)NC(C(=O)O)C3CC3)cn4COCC[Si](C)(C)C)sc12

HCID67386745

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc2cc(-c3cnc4c(n3)c(C(=O)NC(C(=O)N3CC(C#N)C3)C3CC3)cn4COCC[Si](C)(C)C)sc12

HCID178493043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46251544ef6343cfbecf44abcabd80bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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