HRID666914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

结构：CC(C)(C)c1ccc(CCC(O)CC2CCCCC2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966195

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)OC(CCc1ccc(C(C)(C)C)c(NC(=O)CC2c3ccccc3Oc3ccccc32)c1)CC1CCCCC1

HCID57019979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dbea7bf28b846929868f91168036bc9
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]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:22][C:23]([CH2:24][CH:25]2[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)=[O:39])[cH:7][c:8]([CH2:11][CH2:12][CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[OH:21])[cH:9][cH:10]1.[CH3:41][N:42]([CH2:43][C:44](=[O:45])[OH:46])[CH3:47].[ClH:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:22][C:23]([CH2:24][CH:25]2[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)=[O:39])[cH:7][c:8]([CH2:11][CH2:12][CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[O:21][C:44]([CH2:43][N:42]([CH3:41])[CH3:47])=[O:45])[cH:9][cH:10]1