HRID139697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID938

Nicotinic acid

C6H5NO2

HCID15908

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

C8H17N3

HCID31374

Dimethylacetamide

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cccnc1C(=O)Nc1cccc(Oc2ccc3nc(N)cn3c2)c1

HCID57749390

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)c4cccnc4)cn3c2)c1

HCID57749135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-180955c473e0463f8fe85a02781f18a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:68](=[O:69])([O-:70])[OH:71].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:73][N:74]([CH3:75])[C:76](=[O:77])[CH3:78].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[ClH:37].[NH2:1][c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[CH3:26])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:27]1.[Na+:72].[OH:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][cH:34][n:35][cH:36]1.[n:49]1([OH:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[CH3:26])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:27]1)[C:29](=[O:28])[c:31]1[cH:32][cH:33][cH:34][n:35][cH:36]1