HRID942576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

2 次

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

结构：N#Cc1ccc2c(c1)c(-c1cccc(N)c1)nn2C1CCCCO1

HCID22480146

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)c2)CC1

HCID22479820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-007c0622360845af9fc94d7a1faf2707
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]1.[CH3:18][N:19]([CH3:20])[CH2:21][CH2:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH3:28].[CH3:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH2:59][CH2:60][N:61]([CH3:62])[CH3:63].[Cl:64][CH2:65][Cl:66].[ClH:17].[NH2:29][c:30]1[cH:31][c:32](-[c:36]2[n:37][n:38]([CH:47]3[O:48][CH2:49][CH2:50][CH2:51][CH2:52]3)[c:39]3[cH:40][cH:41][c:42]([C:45]#[N:46])[cH:43][c:44]23)[cH:33][cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:16])[NH:29][c:30]2[cH:31][c:32](-[c:36]3[n:37][n:38]([CH:47]4[O:48][CH2:49][CH2:50][CH2:51][CH2:52]4)[c:39]4[cH:40][cH:41][c:42]([C:45]#[N:46])[cH:43][c:44]34)[cH:33][cH:34][cH:35]2)[CH2:12][CH2:13]1