HRID702649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

结构：COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2

HCID4271

2-(Morpholin-4-yl)ethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate

C23H31NO7

HCID98915

Tricyclo(3.3.1.1'3,7)decane-1-carbonyl chloride

C11H15ClO

PRODUCTS

生成物

结构：COc1c(C)c2c(c(OC(=O)C34CC5CC(CC(C5)C3)C4)c1CC=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2

HCID67854278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59cef699018748a3a6ccf6ab58237442
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:32]12([C:42](=[O:43])[Cl:44])[CH2:33][CH:34]3[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]1)[CH2:40]3)[CH2:41]2.[OH2:45].[OH:1][c:2]1[c:3]2[c:7]([c:8]([CH3:30])[c:9]([O:28][CH3:29])[c:10]1[CH2:11][CH:12]=[C:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[CH3:27])[CH2:6][O:5][C:4]2=[O:31].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[O:1]([c:2]1[c:3]2[c:7]([c:8]([CH3:30])[c:9]([O:28][CH3:29])[c:10]1[CH2:11][CH:12]=[C:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[CH3:27])[CH2:6][O:5][C:4]2=[O:31])[C:42]([C:32]12[CH2:33][CH:34]3[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]1)[CH2:40]3)[CH2:41]2)=[O:43]