HRID1113816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID66023

3-Phenylprop-2-enoyl chloride

C9H7ClO

HCID81531

Diisopropylethylamine

C8H19N

HCID22053658

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)C=Cc1ccccc1)C2

HCID68687727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68ea36aa53c44e9c9e7a13b30c1502db
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

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