HRID1140568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID66837

Benzoic acid, 3-(dimethylamino)-

C9H11NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID59302870

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1ncc(-c2cccnc2)o1

HCID11165864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-914e2896c142405fbb0f2343d0d27ad0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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