HRID91723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

结构：CCOC(=O)C(C)(C)Oc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1

HCID67072275

未命名化合物

结构：CCOC(=O)C(C)(C)Oc1cc(N)cc(C(F)(F)F)c1

HCID67072425

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(N(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c1

HCID67072112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9ad7acfce4a4b5d8dbdd47fe7d43a5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:63](=[O:64])([O-:65])[OH:66].[CH2:1]([O:2][C:3](=[O:4])[C:5]([O:6][c:7]1[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]([NH2:16])[cH:17]1)([CH3:18])[CH3:19])[CH3:20].[CH2:21]([CH3:22])[O:23][C:24]([C:25]([CH3:26])([CH3:27])[O:28][c:29]1[cH:30][c:31]([NH:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)=[O:47].[CH3:48][C:49]([O:50][C:51]([O:52][C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])=[O:60])([CH3:61])[CH3:62].[Na+:67].[O:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[OH2:68]>>[CH3:1][N:39]([c:31]1[cH:30][c:29]([O:28][C:25]([C:24]([O:23][CH2:21][CH3:22])=[O:47])([CH3:26])[CH3:27])[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32]1)[C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46]