HRID2320573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13281363

Ethyl 3-(2-methoxyphenyl)prop-2-ynoate

C12H12O3

结构：CC(C)(C)OC(=O)N1CCCc2ccc(CCOc3ccc4[nH]ccc4c3)nc21

HCID66821083

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=C(c1ccccc1OC)n1ccc2cc(OCCc3ccc4c(n3)N(C(=O)OC(C)(C)C)CCC4)ccc21

HCID66821238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a1672d44c794bc4b33e31562fcd7076
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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