HRID1234563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：COC(=O)N(Cc1cc(C=O)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID11497822

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(C(=O)O)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID11556089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1914ed816dd648bd95bf798937691563
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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