HRID2341412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID57835749

Methyl 3-(4-hydroxyphenyl)hex-4-ynoate

C13H14O3

HCID58031734

未命名化合物

PRODUCTS

生成物

结构：CC#CC(CC(=O)OC)c1ccc(OCN2C(=O)C(C)(C)c3cc(Br)ccc32)cc1

HCID58031723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9d3f0d4d41341fdbe246624aa9b485a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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