HRID154694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID20132751

Methyl azetidine-3-carboxylate

C5H9NO2

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCC1CO1

HCID87503562

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCC(O)CN1CC(C(=O)OC)C1

HCID68579536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11035eec418b4110b4982dfd651c30b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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