HRID1145990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID21986458

Ethyl (4-hydroxy-2-methylphenoxy)acetate

C11H14O4

HCID69711807

未命名化合物

PRODUCTS

生成物

结构：CCOCC(Oc1ccc(OCC(=O)OCC)c(C)c1)c1cccc(-c2ccc(C#N)cc2)n1

HCID178467983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1ab6bbea33942cdbe2e44fc0482a044
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:16]([CH3:17])[O:18][CH2:19][CH:20]([OH:21])[c:22]1[cH:23][cH:24][cH:25][c:26](-[c:28]2[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]2)[n:27]1.[Cl:69][CH2:70][Cl:71].[O:55]=[C:56]([O:57][CH:58]([CH3:59])[CH3:60])[N:61]=[N:62][C:63]([O:64][CH:65]([CH3:66])[CH3:67])=[O:68].[OH:1][c:2]1[cH:3][c:4]([CH3:15])[c:5]([O:8][CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][cH:7]1.[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[O:1]([c:2]1[cH:3][c:4]([CH3:15])[c:5]([O:8][CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][cH:7]1)[CH:20]([CH2:19][O:18][CH2:16][CH3:17])[c:22]1[cH:23][cH:24][cH:25][c:26](-[c:28]2[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]2)[n:27]1