HRID179068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：Cc1ccc2c(N3CCC(N)C3)nc(-c3ccccc3O)nc2c1

HCID136121513

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(N3CCC(NC(=O)OCC(C)C)C3)nc(-c3ccccc3O)nc2c1

HCID136365373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fae6e9163274c5a858fecfb13ac8b13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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