HRID87562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：COC(=O)Cn1c(-c2ccccc2C=O)c(C2CCCCC2F)c2sc(C(=O)OC)cc21

HCID86629784

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2c(s1)c(C1CCCCC1F)c1n2CC(=O)N(CCN(C)C)Cc2ccccc2-1

HCID178496977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0b59985f3da4f6da349aeb89272344c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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