HRID669263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

HCID97075

Benzamide, N-1H-purin-6-yl-

C12H9N5O

结构：C=CC1(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)OC(OC(C)=O)C(OC(C)=O)C1OCc1ccccc1

HCID131730809

未命名化合物

PRODUCTS

生成物

结构：C=CC1(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OC(C)=O)C1OCc1ccccc1

HCID131730810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24445758842a452db09a94aae35d1339
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

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:39][C:40](=[O:41])[CH3:42])[O:7][C:8]([CH:18]=[CH2:19])([C:20]([O:21][SiH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:9]1[O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[C:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)(=[O:62])[NH:63][c:64]1[c:65]2[nH:66][cH:67][n:68][c:69]2[n:70][cH:71][n:72]1.[CH3:73][C:74]#[N:75].[S:43]([O:44][Si:45]([CH3:46])([CH3:47])[CH3:48])([C:49]([F:50])([F:51])[F:52])(=[O:53])=[O:54]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:68]2[cH:67][n:66][c:65]3[c:64]([NH:63][C:55]([c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)=[O:62])[n:72][cH:71][n:70][c:69]32)[O:7][C:8]([CH:18]=[CH2:19])([C:20]([O:21][SiH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:9]1[O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1