HRID1554977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID244

Benzyl alcohol

C7H8O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID6456

Trityl chloride

C19H15Cl

HCID8857

Ethyl acetate

C4H8O2

HCID559314

CERAPP_31288

C5H9NO3

PRODUCTS

生成物

结构：O=C(O)C1C(O)CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID22324481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8919d49120a944a89fec8ea5eb4de2b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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