HRID2313887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID3280088

未命名化合物

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：C=Cc1cc(CN(Cc2cc(C(F)(F)F)ccc2-c2cc(C(C)C)ccc2OC)C(=O)OC)cc(C(F)(F)F)c1

HCID11721070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-499b8a2a8c004181af43e208d1e89d34
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

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