HRID2325633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID2773261

2-Bromo-1H-imidazole

C3H3BrN2

结构：CC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O2

HCID67246449

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ncc[nH]3)ccc1O2

HCID67248939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4c22ee94db846e5b1b209ed5fab2912
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

[Br:35][c:36]1[nH:37][cH:38][cH:39][n:40]1.[CH2:1]([C:2]([CH3:3])([CH3:4])[CH3:5])[O:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][c:14]1[cH:15][cH:16][c:17]([B:26]3[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]3)[cH:18][c:19]1[C:20]21[N:21]=[C:22]([NH2:25])[O:23][CH2:24]1.[CH3:47][OH:48].[K+:45].[O-:41][C:42]([CH3:43])=[O:44].[OH2:46]>>[CH2:1]([C:2]([CH3:3])([CH3:4])[CH3:5])[O:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][c:14]1[cH:15][cH:16][c:17](-[c:36]3[nH:37][cH:38][cH:39][n:40]3)[cH:18][c:19]1[C:20]21[N:21]=[C:22]([NH2:25])[O:23][CH2:24]1