HRID120994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID59610541

未命名化合物

HCID59610886

未命名化合物

PRODUCTS

生成物

结构：O=C(COC(=O)C1CC2(CC2)CN1C(=O)OCc1ccccc1)c1ccc2c(c1)oc1cc(Br)ccc12

HCID66621109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c6175d492eb4ecd92caac3dde709272
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:28][CH2:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]2[c:36]([o:37][c:38]3[c:39]2[cH:40][cH:41][c:42]([Br:44])[cH:43]3)[cH:45]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[C:18](=[O:19])[OH:20].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:46][C:47]#[N:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[C:18]([O:19][CH2:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]2[c:36]([o:37][c:38]3[c:39]2[cH:40][cH:41][c:42]([Br:44])[cH:43]3)[cH:45]1)=[O:20]