HRID2133795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID24386

Thionyl chloride

Cl2OS

HCID47002770

未命名化合物

HCID53401103

3-(Benzyloxy)-5-[(propan-2-yl)oxy]benzoic acid

C17H18O4

PRODUCTS

生成物

结构：CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1

HCID25261668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b72f905dbf94eba8308ff7b2bba47ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16]([O:18][CH:19]([CH3:20])[CH3:21])[cH:17]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[S:55]([Cl:56])([Cl:57])=[O:58].[n:29]1[c:30]([CH2:35][n:36]2[n:37][c:38]([NH2:41])[cH:39][cH:40]2)[cH:31][cH:32][cH:33][cH:34]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:14])[NH:41][c:38]2[n:37][n:36]([CH2:35][c:30]3[n:29][cH:34][cH:33][cH:32][cH:31]3)[cH:40][cH:39]2)[cH:15][c:16]([O:18][CH:19]([CH3:20])[CH3:21])[cH:17]1