HRID2148240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6956

Phthalamide

C8H8N2O2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：CC1=C(C#N)C(c2ccc3c(c2)c(NCCO)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1

HCID69041911

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C#N)C(c2ccc3c(c2)c(NCCN2C(=O)c4ccccc4C2=O)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1

HCID69043647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de8f5a4a67794e03ba0a04d663df576b
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:29][CH2:30][CH2:31][OH:32])[c:11]2[cH:12][c:13]([CH:17]3[C:18]([C:27]#[N:28])=[C:19]([CH3:26])[NH:20][C:21]([CH3:25])=[C:22]3[C:23]#[N:24])[cH:14][cH:15][c:16]12.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[NH2:52][C:53](=[O:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][c:60]1[C:61]([NH2:62])=[O:63].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:29][CH2:30][CH2:31][N:62]2[C:53](=[O:54])[c:55]3[cH:56][cH:57][cH:58][cH:59][c:60]3[C:61]2=[O:63])[c:11]2[cH:12][c:13]([CH:17]3[C:18]([C:27]#[N:28])=[C:19]([CH3:26])[NH:20][C:21]([CH3:25])=[C:22]3[C:23]#[N:24])[cH:14][cH:15][c:16]12