HRID2319464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8857

Ethyl acetate

C4H8O2

结构：FC(F)(F)c1cc(COC2CCC3CCC2(c2ccccc2)N3Cc2ccccc2)cc(C(F)(F)F)c1

HCID22724602

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cc(COC2CCC3CCC2(c2ccccc2)N3)cc(C(F)(F)F)c1

HCID22724580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57267bfc2d8c4ede86bd3f0ac8cd3e0d
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

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