HRID89079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID61186

Valeryl chloride

C5H9ClO

结构：Cc1cc(C)cc(-c2[nH]c3ccc(N)cc3c2CCN(Cc2ccccc2)C(=O)OC(C)(C)C)c1

HCID53723321

未命名化合物

PRODUCTS

生成物

结构：CCCCC(=O)Nc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)c2c1

HCID54425158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5307ce6fc49c4396997ca1d98afc62e9
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH2:15][CH2:16][c:17]1[c:18](-[c:27]2[cH:28][c:29]([CH3:34])[cH:30][c:31]([CH3:33])[cH:32]2)[nH:19][c:20]2[cH:21][cH:22][c:23]([NH2:26])[cH:24][c:25]12)=[O:35].[C:36]([CH2:37][CH2:38][CH2:39][CH3:40])(=[O:41])[Cl:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH2:15][CH2:16][c:17]1[c:18](-[c:27]2[cH:28][c:29]([CH3:34])[cH:30][c:31]([CH3:33])[cH:32]2)[nH:19][c:20]2[cH:21][cH:22][c:23]([NH:26][C:36]([CH2:37][CH2:38][CH2:39][CH3:40])=[O:41])[cH:24][c:25]12)=[O:35]