HRID675723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID8078

Cyclohexane

C6H12

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

结构：COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)C(C(C)OC(=O)OCc3ccccc3)C2C(C)(C)O)cc1

HCID178490041

未命名化合物

PRODUCTS

生成物

结构：C=C(C)C1C(C(C)OC(=O)OCc2ccccc2)C(=O)N1C(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

HCID70452194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79760a12640d457fa1815412c4c51621
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

[CH2:66]1[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[OH2:52].[OH:1][C:2]([CH3:3])([CH3:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[N:8]1[CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1.[S:42]([Cl:43])([Cl:44])=[O:45].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[C:2](=[CH2:3])([CH3:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[N:8]1[CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1