HRID1237591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID15458

tert-Butyl acrylate

C7H12O2

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc(Cc2ccc3oc(-c4ccc5c(c4)CCNC5)cc3c2)cc1

HCID59595873

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCN1CCc2cc(-c3cc4cc(Cc5ccccc5)ccc4o3)ccc2C1

HCID59595905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e660b27ad9b440588cc196b03adb824
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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