HRID1139437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID19762500

未命名化合物

HCID178512723

未命名化合物

PRODUCTS

生成物

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

HCID178483468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-436816e58aa74d6399b6569782f1468f
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:25](=[O:26])([n:27]1[cH:28][cH:29][n:30][cH:31]1)[n:32]1[cH:33][cH:34][n:35][cH:36]1.[C:53]([O:54][CH2:55][CH3:56])(=[O:57])[CH3:58].[CH3:51][OH:52].[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.[NH:37]([C:38](=[NH:39])[NH2:40])[c:41]1[s:42][cH:43][c:44]([CH2:46][S:47][CH2:48][CH2:49][NH2:50])[n: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][NH:17][C:25](=[O:26])[NH:50][CH2:49][CH2:48][S:47][CH2:46][c:44]2[cH:43][s:42][c:41]([NH:37][C:38](=[NH:39])[NH2:40])[n:45]2)[CH3:18])[c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[cH:6][cH:7]1