HRID91012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID15940811

3-(Pyridin-4-yl)-3,9-diazaspiro[5.5]undecane

C14H21N3

HCID44558548

7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

C12H17N3O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCn2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)nc2C1

HCID59483777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7cf46134a81454b8f4753496bb4d852
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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