HRID2326492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID92898

2-Chloro-1-phenylethan-1-ol

C8H9ClO

结构：COc1cc(C(CN2C(=O)c3ccccc3C2=O)Nc2ccc(C#N)cc2)ccc1O

HCID22890455

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(CN2C(=O)c3ccccc3C2=O)Nc2ccc(C#N)cc2)ccc1OC(CCl)c1ccccc1

HCID22890450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ef25bd7f1e641d387f065e02ce6d126
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

[Cl:51][CH2:52][CH:53]([OH:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:1]=[C:2]1[N:3]([CH2:12][CH:13]([c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([OH:20])[cH:18][cH:19]2)[NH:23][c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]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>>[O:1]=[C:2]1[N:3]([CH2:12][CH:13]([c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([O:20][CH:53]([CH2:52][Cl:51])[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[cH:18][cH:19]2)[NH:23][c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21