HRID105270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：Cc1c(O)cccc1NC(=O)CC12CC3CC(CC(C3)C1)C2

HCID20660018

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C

HCID20660020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77aad1765c9f4c468c4635368a2938c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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