HRID1117311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID2758810

ethyl 6-bromopyridine-2-carboxylate

C8H8BrNO2

结构：OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619310

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)n1

HCID66619340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2347d22af014c8084c38cd1c7cdfc61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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