HRID1217175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID61147

Acetyl bromide, 2-bromo-

C2H2Br2O

结构：COc1ccc(CNCC2(NC(=O)OC(C)(C)C)CCCC2)c(OC)c1

HCID69317052

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(CC2(NC(=O)OC(C)(C)C)CCCC2)C(=O)CBr)c(OC)c1

HCID86612119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f24aeb16bb04cb0ab769ea4b88f9b55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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