HRID692061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID2773546

[4-(Morpholine-4-carbonyl)phenyl]boronic acid

C11H14BNO4

HCID66826813

未命名化合物

PRODUCTS

产物

HCID66828967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-af855d56de444a7f9acd50cac0f74e74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:54][C:55]#[N:56].[CH3:58][C:59](=[O:60])[O-:61].[I:1][c:2]1[n:3][n:4]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:5]2[c:6]1[c:7]([O:11][CH:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)[n:8][cH:9][cH:10]2.[K+:57].[O:37]1[CH2:38][CH2:39][N:40]([C:43](=[O:44])[c:45]2[cH:46][cH:47][c:48]([B:51]([OH:52])[OH:53])[cH:49][cH:50]2)[CH2:41][CH2:42]1.[OH2:62]>>[c:2]1(-[c:48]2[cH:47][cH:46][c:45]([C:43]([N:40]3[CH2:39][CH2:38][O:37][CH2:42][CH2:41]3)=[O:44])[cH:50][cH:49]2)[n:3][n:4]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:5]2[c:6]1[c:7]([O:11][CH:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)[n:8][cH:9][cH:10]2