HRID1214646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID105097

5-Phenyl-2-pyridinamine

C11H10N2

结构：O=C(O)CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1

HCID57875801

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1)Nc1ccc(-c2ccccc2)cn1

HCID57875804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2afd0601001d4e7cae33cdcf127ba0b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][N:9]([C:12]([CH2:13][C:14](=[O:15])[OH:16])=[O:17])[CH2:10][CH2:11]2)[cH:18][cH:19][cH:20][cH:21]1.[CH3:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH2:28][CH2:29][N:30]([CH3:31])[CH3:32].[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[c:43]1(-[c:49]2[cH:50][cH:51][c:52]([NH2:55])[n:53][cH:54]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[Br:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][N:9]([C:12]([CH2:13][C:14](=[O:16])[NH:55][c:52]3[cH:51][cH:50][c:49](-[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:54][n:53]3)=[O:17])[CH2:10][CH2:11]2)[cH:18][cH:19][cH:20][cH:21]1