HRID193236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

HCID66876091

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1Oc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2)c1

HCID24964423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72da810210054797af7af638da9ac7d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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