HRID665637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID2094170

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCc1c(CC)c(CC)c2c(c1CC)C(=N)NC2=C1SC(NC(C)C)=NC1=N

HCID178436236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72bdca504a3b44f68ff6162e9703681c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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