HRID160803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID69828

Cyclopropanamine

C3H7N

反应SMILES：Cc1c(NC(=O)Oc2ccccc2)ccc(Oc2ccnc3cc(OCc4ccccc4)c(C#N)cc23)c1C

HCID67201413

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(NC(=O)NC2CC2)ccc(Oc2ccnc3cc(OCc4ccccc4)c(C#N)cc23)c1C

HCID22936500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-202eebc739614acd9958c6acb4fccb55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:5][N:6]([CH3:7])[CH:8]=[O:9].[CH:1]1([NH2:4])[CH2:2][CH2:3]1.[OH2:49].[c:10]1([O:16][C:17](=[O:11])[NH:18][c:19]2[c:20]([CH3:47])[c:21]([CH3:46])[c:22]([O:25][c:26]3[cH:27][cH:28][n:29][c:30]4[cH:31][c:32]([O:38][CH2:39][c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[c:33]([C:36]#[N:37])[cH:34][c:35]34)[cH:23][cH:24]2)[cH:12][cH:13][cH:14][cH:15][cH:48]1>>[CH:1]1([NH:4][C:17](=[O:16])[NH:18][c:19]2[c:20]([CH3:47])[c:21]([CH3:46])[c:22]([O:25][c:26]3[cH:27][cH:28][n:29][c:30]4[cH:31][c:32]([O:38][CH2:39][c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[c:33]([C:36]#[N:37])[cH:34][c:35]34)[cH:23][cH:24]2)[CH2:2][CH2:3]1