HRID682952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID98987

Octadeca-9,12-dienoyl chloride

C18H31ClO

结构：CC(C)(C)OC(=O)C=Cc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

HCID91423868

未命名化合物

PRODUCTS

生成物

结构：CCCCCC=CCC=CCCCCCCCC(=O)Oc1ccc(-c2ccc(C=CC(=O)OC(C)(C)C)cc2)cc1C12CC3CC(CC(C3)C1)C2

HCID123671257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de61ddc22d9645c1a0dad6f8d90ff5f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:19])[Cl:20].[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26]([CH:27]=[CH:28][c:29]1[cH:30][cH:31][c:32](-[c:35]2[cH:36][c:37]([C:42]34[CH2:43][CH:44]5[CH2:45][CH:46]([CH2:47][CH:48]([CH2:49]3)[CH2:50]5)[CH2:51]4)[c:38]([OH:41])[cH:39][cH:40]2)[cH:33][cH:34]1)=[O:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:19])[O:41][c:38]1[c:37]([C:42]23[CH2:43][CH:44]4[CH2:45][CH:46]([CH2:47][CH:48]([CH2:49]2)[CH2:50]4)[CH2:51]3)[cH:36][c:35](-[c:32]2[cH:31][cH:30][c:29]([CH:28]=[CH:27][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:52])[cH:34][cH:33]2)[cH:40][cH:39]1