HRID138887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID21884954

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC(CCC1C(=O)N(c2ccccc2)C1c1ccc(-c2cccc(OS(=O)(=O)C(F)(F)F)c2)cc1)c1ccc(F)cc1

HCID72346052

未命名化合物

PRODUCTS

生成物

结构：COP(=O)(OC)c1cccc(-c2ccc(C3C(CCC(O[Si](C)(C)C(C)(C)C)c4ccc(F)cc4)C(=O)N3c3ccccc3)cc2)c1

HCID90802103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0050149b46ef4d45a6c33aac0c4cd5aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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