HRID1146785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

结构：CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2cn(COCC[Si](C)(C)C)nc12

HCID57546145

未命名化合物

PRODUCTS

生成物

结构：CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2cn[nH]c12

HCID57546106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ce6ab2f01f4431996518d0d0a3362cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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