HRID698395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8058

n-Hexane

C6H14

HCID75567

4-Pyrrolidinopyridine

C9H12N2

HCID79958

2,2-Dimethylbutyryl chloride

C6H11ClO

结构：CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(O)C2(C)C(C(C)CC=C(c3ccccc3)c3ccccc3)CCC12

HCID178475296

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)C(=O)OC1CC2C(C(OC(C)=O)CC3CC(OC(C)=O)CCC32C)C2CCC(C(C)CC=C(c3ccccc3)c3ccccc3)C12C

HCID178445425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ea2eb92530437690caf145ff272f58
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]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH:9]([O:42][C:43]([CH3:44])=[O:45])[CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:25]([CH2:26][CH:27]=[C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[CH3:41])[C:15]4([CH3:16])[CH:17]([OH:24])[CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1.[CH3:57][C:58]([C:59](=[O:60])[Cl:61])([CH2:62][CH3:63])[CH3:64].[CH3:71][CH2:72][CH2:73][CH2:74][CH2:75][CH3:76].[N:46]1([c:47]2[cH:48][cH:49][n:50][cH:51][cH:52]2)[CH2:53][CH2:54][CH2:55][CH2:56]1.[cH:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH:9]([O:42][C:43]([CH3:44])=[O:45])[CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:25]([CH2:26][CH:27]=[C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[CH3:41])[C:15]4([CH3:16])[CH:17]([O:24][C:59]([C:58]([CH3:57])([CH2:62][CH3:63])[CH3:64])=[O:60])[CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1