HRID124951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1

HCID22467348

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1

HCID22467422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5835b30bf234c018256b7a027b24b04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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