HRID681545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：Cc1cc(C)cc(N(C(=O)N2CCNCC2C(=O)O)c2ccccc2)c1

HCID18965169

未命名化合物

HCID22106956

Dipentylcarbamyl chloride

C11H22ClNO

PRODUCTS

生成物

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cc(C)cc(C)c2)C(C(=O)O)C1

HCID18965147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e7d3aac0dfb481aa7fd7de01ca43914
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([OH:2])(=[O:3])[CH3:4].[CH2:31]([CH2:32][CH2:33][CH2:34][CH3:35])[N:36]([C:37](=[O:38])[Cl:39])[CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:5][c:6]1[cH:7][c:8]([N:13]([C:14](=[O:15])[N:16]2[CH:17]([C:22](=[O:23])[OH:24])[CH2:18][NH:19][CH2:20][CH2:21]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:9][c:10]([CH3:12])[cH:11]1.[OH2:57]>>[CH3:5][c:6]1[cH:7][c:8]([N:13]([C:14](=[O:15])[N:16]2[CH:17]([C:22](=[O:23])[OH:24])[CH2:18][N:19]([C:37]([N:36]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])=[O:38])[CH2:20][CH2:21]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:9][c:10]([CH3:12])[cH:11]1