HRID170636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6386

tert-Butyl alcohol

C4H10O

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID82130

3-Bromo-4-methylbenzoic acid

C8H7BrO2

HCID18426155

2-Amino-N-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]acetamide

C15H22ClN3O

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1Br

HCID18426237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-953859de4ecd4ea6ae34dc2e9b439c94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[CH3:11].[CH3:55][C:56]([OH:57])([CH3:58])[CH3:59].[CH:12]([N:13]=[C:14]=[N:15][CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[CH:51]([Cl:52])([Cl:53])[Cl:54].[Cl:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][N:37]2[CH2:38][CH2:39][CH:40]([CH2:43][NH:44][C:45]([CH2:46][NH2:47])=[O:48])[CH2:41][CH2:42]2)[cH:49][cH:50]1.[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:47][CH2:46][C:45]([NH:44][CH2:43][CH:40]2[CH2:39][CH2:38][N:37]([CH2:36][c:35]3[cH:34][cH:33][c:32]([Cl:31])[cH:50][cH:49]3)[CH2:42][CH2:41]2)=[O:48])[cH:8][cH:9][c:10]1[CH3:11]