HRID953132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID14738853

未命名化合物

HCID21220461

Ethyl 2,4,5-trifluoro-3-methylbenzoate

C10H9F3O2

PRODUCTS

生成物

结构：CCOC(=O)c1cc(F)c(N2CC(C)C(NC(=O)OC(C)(C)C)C2)c(C)c1F

HCID91357465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-920e307140d54e46918b8d33ccfc176e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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