HRID1117093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7243

1,2-Phenylenediamine

C6H8N2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1ccc(CNc2nccc(-c3cnccn3)n2)cc1

HCID66622167

未命名化合物

PRODUCTS

生成物

结构：Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cnccn3)n2)cc1

HCID44570891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-119e22f3b76242eb96dfe7ad6df99751
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

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