HRID153519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID996

Phenol

C6H6O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID11687330

4-(3-hydroxypyrrolidin-1-yl)naphthalene-1-carbonitrile

C15H14N2O

PRODUCTS

生成物

结构：N#Cc1ccc(N2CCC(Oc3ccccc3)C2)c2ccccc12

HCID23080015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6cc5c4d00d443f4a727e5c1e6f8efd8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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