HRID1224879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19762500

未命名化合物

结构：N#CNC(=NCCSCc1csc(NC(=N)N)n1)Oc1ccccc1

HCID178512334

未命名化合物

PRODUCTS

生成物

结构：CN(CCCCCNC(=NCCSCc1csc(NC(=N)N)n1)NC#N)CCC(c1ccc(Cl)cc1)c1ccccn1

HCID178483466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29c1922d25a74fe6a98015620c92e23d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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