HRID313959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID19066266

(5-Methylpyridin-2-yl)acetic acid

C8H9NO2

结构：c1cnn(-c2ccc3c(c2)CCC3N2CC3(CCNCC3)C2)n1

HCID67423981

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-n5nccn5)ccc42)C3)nc1

HCID53390180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f94ac26eaccf441cae250faf24cd11e7
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

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