HRID176244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

结构：CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O

HCID53674512

未命名化合物

结构：COCOCC1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1

HCID67214899

未命名化合物

PRODUCTS

生成物

结构：COCOCC1(c2ccccc2)SC(c2cc(F)ccc2F)=NN1C(=O)C(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

HCID67214651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc791c0f375949acb5c03f91da5fa907
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

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