HRID203791

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

HCID6344

Dichloromethane

CH2Cl2

HCID56776710

1-(Propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C12H21BN2O2

HCID58204419

Methyl 2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-10-carboxylate

C13H11IN2O3

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)-c1nc(-c3ccnn3C(C)C)cn1CCO2

HCID58204336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cc128ef296c492ba5690aa2454bb304
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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