HRID301416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2734621

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C13H17BO4

HCID57423953

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OB(c2ccc(C(=O)N3CCCN(C4CCC4)CC3)cc2)OC1(C)C

HCID66930417

(4-Cyclobutylhexahydro-1H-1,4-diazepin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

C22H33BN2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45af243e6afb462fab7716885eb0d375
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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