HRID2151525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：COc1ccccc1-c1ccc2c(c1)C(CN=[N+]=[N-])=CC(C)(C)N2

HCID22566521

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc2c(c1)C(CN)=CC(C)(C)N2

HCID22566510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff8fccd35e094b8485953e9ea2ac3b5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[N:1](=[N+:2]=[N-:3])[CH2:4][C:5]1=[CH:6][C:7]([CH3:23])([CH3:24])[NH:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][c:14]21.[OH2:44].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[NH2:1][CH2:4][C:5]1=[CH:6][C:7]([CH3:23])([CH3:24])[NH:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][c:14]21