HRID2340433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CCOC(=O)c1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ncnc2n1COCC[Si](C)(C)C

HCID58938024

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1c(C(=O)O)cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ncnc21

HCID58938028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3308e5b298384a39880d5d4e728f7546
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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