HRID1119207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID23114857

(2,6-Dichloro-5-fluoropyridin-3-yl)methanol

C6H4Cl2FNO

HCID57461147

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(ON=C2CCN(c3nc(Cl)c(CO)cc3F)CC2)CC1

HCID86655012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b626d7bc8414f0e9ec3f5ca575bdde1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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