HRID212934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(Cl)ccc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID21948937

未命名化合物

HCID45089604

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(N=CC(O)(CC(C)(C)c3ccc(Cl)cc3OC)C(F)(F)F)cccc2n1

HCID69204021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-823e218f94354fd1ad850e1baaf9d603
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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