HRID1537548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CCCc1cc(NC(=O)c2c(C)nn(C)c2C)c(C)cc1C(OC)(C(F)(F)F)C(F)(F)F

HCID23628207

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(N(C(C)=O)C(=O)c2c(C)nn(C)c2C)c(C)cc1C(OC)(C(F)(F)F)C(F)(F)F

HCID86629857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16a4ad22aca34db3a0dd5da5a37e4c4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:35][C:36](=[O:37])[O:38][C:39](=[O:40])[CH3:41].[CH3:3][O:4][C:5]([C:6]([F:7])([F:8])[F:9])([C:10]([F:11])([F:12])[F:13])[c:14]1[cH:15][c:16]([CH3:34])[c:17]([NH:23][C:24](=[O:25])[c:26]2[c:27]([CH3:33])[n:28][n:29]([CH3:32])[c:30]2[CH3:31])[cH:18][c:19]1[CH2:20][CH2:21][CH3:22].[ClH:42].[H-:1].[Na+:2].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH3:3][O:4][C:5]([C:6]([F:7])([F:8])[F:9])([C:10]([F:11])([F:12])[F:13])[c:14]1[cH:15][c:16]([CH3:34])[c:17]([N:23]([C:24](=[O:25])[c:26]2[c:27]([CH3:33])[n:28][n:29]([CH3:32])[c:30]2[CH3:31])[C:36]([CH3:35])=[O:37])[cH:18][c:19]1[CH2:20][CH2:21][CH3:22]