HRID673320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2736105

N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amine

C10H23N3

结构：Cc1ccc(Cn2cc(C)c(-c3ccc(C)cc3)c2C(=O)O)cc1

HCID66882815

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCN1CCN(C(=O)c2c(-c3ccc(C)cc3)c(C)cn2Cc2ccc(C)cc2)CC1

HCID24880306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caef80569dc64cb69bf6191b0880b946
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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