HRID1113020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID77317

4-Pyridinemethanamine

C6H8N2

结构：N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(-c4cc(F)ccc4O)c3O)nc2c1

HCID178511950

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：N=C(N)c1ccc2[nH]c(-c3cc(C(=O)NCc4ccncc4)cc(-c4cc(F)ccc4O)c3O)nc2c1

HCID178511948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-936bc564a2264e499aa2773f13ebc7fc
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

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