HRID288387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID325

4-Isopropylbenzyl alcohol

C10H14O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：CC(C)(Oc1cccc(C2CCCNC2)c1)C(=O)OCc1ccccc1

HCID68883956

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(COC(=O)N2CCCC(c3cccc(OC(C)(C)C(=O)OCc4ccccc4)c3)C2)cc1

HCID68882636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c68da98ea9484f6e8b36f343426499dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:12](=[O:13])([n:14]1[cH:15][cH:16][n:17][cH:18]1)[n:19]1[cH:20][cH:21][n:22][cH:23]1.[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][C:32]([C:33]([CH3:34])([O:35][c:36]1[cH:37][c:38]([CH:42]2[CH2:43][NH:44][CH2:45][CH2:46][CH2:47]2)[cH:39][cH:40][cH:41]1)[CH3:48])=[O:49].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][OH:9])[cH:10][cH:11]1.[ClH:50].[OH2:58]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C:12](=[O:13])[N:44]2[CH2:43][CH:42]([c:38]3[cH:37][c:36]([O:35][C:33]([C:32]([O:31][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)=[O:49])([CH3:34])[CH3:48])[cH:41][cH:40][cH:39]3)[CH2:47][CH2:46][CH2:45]2)[cH:10][cH:11]1