HRID95528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID21251348

1-(1,1-Dimethylethyl) 4-methyl-1,2-pyrrolidinedicarboxylate

C11H19NO4

结构：O=C(CBr)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O

HCID86688342

未命名化合物

PRODUCTS

生成物

结构：CC1CC(C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCCC4=O)N(C(=O)OC(C)(C)C)C1

HCID178427243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2130f3a55dc466bb85d66b9f0abe256
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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