HRID1575675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12052

Silane, triethyl-

C6H16Si

HCID4366891

1,3-BIS(PHENYLPHOSPHINO)PROPANE

C15H18P2

结构：CCc1nc(-c2cc3c(cc2OS(=O)(=O)C(F)(F)F)CCCC3)c(CC)nc1NC(CC)CC

HCID22278690

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccc3c(c2)CCCC3)c(CC)nc1NC(CC)CC

HCID22278720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fab9d6ae53134238b7cc9b64f6d604f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:57]([SiH:58]([CH2:59][CH3:60])[CH2:61][CH3:62])[CH3:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[c:14]([cH:15][c:16]1-[c:17]1[n:18][c:19]([CH2:31][CH3:32])[c:20]([NH:25][CH:26]([CH2:27][CH3:28])[CH2:29][CH3:30])[n:21][c:22]1[CH2:23][CH3:24])[CH2:13][CH2:12][CH2:11][CH2:10]2)(=[O:33])=[O:34].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:70].[c:35]1([PH:36][CH2:37][CH2:38][CH2:39][PH:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[cH:7]1[cH:8][c:9]2[c:14]([cH:15][c:16]1-[c:17]1[n:18][c:19]([CH2:31][CH3:32])[c:20]([NH:25][CH:26]([CH2:27][CH3:28])[CH2:29][CH3:30])[n:21][c:22]1[CH2:23][CH3:24])[CH2:13][CH2:12][CH2:11][CH2:10]2