HRID1122996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID7412

Benzoyl chloride

C7H5ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID81531

Diisopropylethylamine

C8H19N

HCID22053658

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccccc1)C2

HCID15952468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1aa99338f101440e9f14e2620a6f3f16
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]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH2:49]([O:50][CH2:51][CH3:52])[CH3:53].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]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]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])[CH2:15]3)[cH:4][cH:5][cH:6]1