HRID836673

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID84468

Trifluoroacetate

C2F3O2-

HCID2724942

未命名化合物

结构：Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(C)(C)N

HCID57814739

未命名化合物

PRODUCTS

生成物

结构：CCNC(C)(C)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C

HCID24888500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bb7007a55fe4d00af2aa695bb5e743c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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