HRID315744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11789865

4-phenylbutanoyl chloride

C10H11ClO

HCID15291362

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCc1ccccc1)NC1c2ccccc2-c2[nH]c(=O)c3nccn3c21

HCID18975469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f50297e0246140a193675d04b51bb3ee
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

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