HRID2334491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6115

Aniline

C6H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57441067

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)c1cccc(Oc2ccc3nccn3n2)c1

HCID57441068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-404cec3279ed41b0a8837e587a43802b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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