HRID176155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

结构：CCOC(=O)c1cc(-c2cc(Cl)c(OCc3ccccc3)cc2OCc2ccccc2)on1

HCID24774040

Ethyl 5-[2,4-bis(benzyloxy)-5-chlorophenyl]-1,2-oxazole-3-carboxylate

C26H22ClNO5

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2cc(-c3cc(Cl)c(OCc4ccccc4)cc3OCc3ccccc3)on2)CC1

HCID67083255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6463405744cf46b2b26ec5fb24a18d50
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

[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[c:17](-[c:31]2[cH:32][c:33]([C:36]([O:38][CH2:37][CH3:39])=[O:40])[n:34][o:35]2)[cH:18][c:19]([Cl:30])[c:20]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:21]1.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:48][CH2:49][OH:50].[OH2:41]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:36]([c:33]2[cH:32][c:31](-[c:17]3[c:16]([O:15][CH2:8][c:9]4[cH:10][cH:11][cH:12][cH:13][cH:14]4)[cH:21][c:20]([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:19]([Cl:30])[cH:18]3)[o:35][n:34]2)=[O:38])[CH2:6][CH2:7]1