HRID215287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2783211

methyl 3,4,5-trifluorobenzoate

C8H5F3O2

结构：CC(c1cccc2ccccc12)N(CC1CNCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435709

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(F)c(N2CC(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3ccccc3)C2)c(F)c1

HCID178498341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c71585ecf8a14ae88275933dc1bd6764
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:37](=[O:38])([O-:39])[O-:40].[CH3:1][S:2]([CH3:3])=[O:4].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[F:43][c:44]1[cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][c:52]([F:55])[c:53]1[F:54].[K+:41].[K+:42].[c:5]1([CH:15]([CH3:16])[N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][CH:26]2[CH2:27][NH:28][CH2:29][CH:30]2[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12>>[c:5]1([CH:15]([CH3:16])[N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][CH:26]2[CH2:27][N:28]([c:53]3[c:44]([F:43])[cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][c:52]3[F:55])[CH2:29][CH:30]2[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12