HRID1113988

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

HCID19762536

未命名化合物

HCID178512723

未命名化合物

PRODUCTS

生成物

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

HCID178483844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e41a59876964e6d91ee1adcb291131a
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:23](=[O:24])([n:25]1[cH:26][cH:27][n:28][cH:29]1)[n:30]1[cH:31][cH:32][n:33][cH:34]1.[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[CH3:49][OH:50].[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][NH2:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[NH:35]([C:36](=[NH:37])[NH2:38])[c:39]1[s:40][cH:41][c:42]([CH2:44][S:45][CH2:46][CH2:47][NH2:48])[n:43]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][NH:15][C:23](=[O:24])[NH:48][CH2:47][CH2:46][S:45][CH2:44][c:42]2[cH:41][s:40][c:39]([NH:35][C:36](=[NH:37])[NH2:38])[n:43]2)[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1