HRID1144219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID16896

o-Cresol, 4-bromo-

C7H7BrO

结构：Cc1cc(C(c2ccc(O)c(C)c2)C2CC3C=CC2C3)ccc1O

HCID67606453

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2CC3CC2CC3C(c2ccc(O)c(C)c2)c2ccc(O)c(C)c2)ccc1O

HCID66835690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-499aceab96e24bd8aca31f69272405f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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