HRID2152062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1132988

4-(2-chlorobenzamido)benzoic acid

C14H10ClNO3

HCID12352922

1-Amino-1-phenylpropan-2-ol

C9H13NO

PRODUCTS

生成物

结构：CC(O)C(NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1

HCID57465374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aac5cbee005404d8fc7f4ecdf2d9a2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:22][c:23]1[c:24]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40]1.[ClH:41].[NH2:11][CH:12]([CH:13]([CH3:14])[OH:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:64].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[NH:11]([CH:12]([CH:13]([CH3:14])[OH:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:32]([c:31]1[cH:30][cH:29][c:28]([NH:27][C:25]([c:24]2[c:23]([Cl:22])[cH:40][cH:39][cH:38][cH:37]2)=[O:26])[cH:36][cH:35]1)=[O:33]