HRID1235586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID2758015

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H17BO2

反应SMILES：CCC(C)C(CNc1ccc2cc(Br)ccc2c1)NC(=O)OC(C)(C)C

HCID178444734

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(C)C(CNc1ccc2cc(C3CC3)ccc2c1)NC(=O)OC(C)(C)C

HCID178444735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-78ceda11ff1a43e5b52f0f06ca57d631
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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