HRID115770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID4103526

tert-Butyl N-(2-bromoethyl)carbamate

C7H14BrNO2

HCID21914814

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(CCc2ccc(NCCNC(=O)OC(C)(C)C)cc2)cs1

HCID86595614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62edb4af625947f98622c9800aac99ef
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

[Br:19][CH2:20][CH2:21][NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][c:10]2[n:11][c:12]([NH:15][C:16]([CH3:17])=[O:18])[s:13][cH:14]2)[cH:6][cH:7]1.[OH2:39]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][c:10]2[n:11][c:12]([NH:15][C:16]([CH3:17])=[O:18])[s:13][cH:14]2)[cH:6][cH:7]1)[CH2:20][CH2:21][NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29]