HRID90283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)=CC1

HCID69073173

未命名化合物

结构：COC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)=CC1

HCID69075752

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C#CC2=CCC(C=C(C)C(=O)O)C=C2)cc2c1C(N(C)C1CC1)CCC2(C)C

HCID69075160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abad6dd3394e4e3ca82b03d0f02bf00d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:35]([O:36][C:37](=[O:38])[C:39]([CH3:40])=[CH:41][CH:42]1[CH2:43][CH:44]=[C:45]([C:46]#[C:47][c:48]2[cH:49][c:50]([O:51][CH3:52])[c:53]3[c:65]([cH:66]2)[C:62]([CH3:63])([CH3:64])[CH2:61][CH2:60][CH:54]3[N:55]([CH:56]2[CH2:57][CH2:58]2)[CH3:59])[CH:67]=[CH:68]1)[CH3:69].[CH3:1][O:2][C:3]([C:4](=[CH:5][CH:6]1[CH:7]=[CH:8][C:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([c:22]([O:24][CH3:25])[cH:23]2)[CH:20]([N:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)[CH2:19][CH2:18][C:17]3([CH3:31])[CH3:32])=[CH:10][CH2:11]1)[CH3:33])=[O:34].[CH3:73][OH:74].[ClH:72].[K+:71].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[OH-:70]>>[O:2]=[C:3]([C:4](=[CH:5][CH:6]1[CH:7]=[CH:8][C:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([c:22]([O:24][CH3:25])[cH:23]2)[CH:20]([N:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)[CH2:19][CH2:18][C:17]3([CH3:31])[CH3:32])=[CH:10][CH2:11]1)[CH3:33])[OH:34]