HRID317046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID141209

2-Chloro-6-methylpyridine-4-carboxylic acid

C7H6ClNO2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)cc(Cl)n1

HCID57505732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96648d5adf1c46258104760839816103
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl-:57].[Cl:24][c:25]1[n:26][c:27]([CH3:34])[cH:28][c:29]([C:31](=[O:32])[OH:33])[cH:30]1.[ClH:35].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1.[NH4+:58].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1)[C:31]([c:29]1[cH:28][c:27]([CH3:34])[n:26][c:25]([Cl:24])[cH:30]1)=[O:32]