HRID2330152

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

HCID19762593

未命名化合物

HCID178512723

未命名化合物

PRODUCTS

生成物

结构：CN(CCNC(=O)NCCSCc1csc(NC(=N)N)n1)CCC(c1ccccc1)c1ccccn1

HCID178484353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4cd5d4e1ef8470291b8f03239c1ab86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:21](=[O:22])([n:23]1[cH:24][cH:25][n:26][cH:27]1)[n:28]1[cH:29][cH:30][n:31][cH:32]1.[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH3:1][N:2]([CH2:3][CH2:4][NH2:5])[CH2:6][CH2:7][CH:8]([c:9]1[n:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:47][OH:48].[NH:33]([C:34](=[NH:35])[NH2:36])[c:37]1[s:38][cH:39][c:40]([CH2:42][S:43][CH2:44][CH2:45][NH2:46])[n:41]1>>[CH3:1][N:2]([CH2:3][CH2:4][NH:5][C:21](=[O:22])[NH:46][CH2:45][CH2:44][S:43][CH2:42][c:40]1[cH:39][s:38][c:37]([NH:33][C:34](=[NH:35])[NH2:36])[n:41]1)[CH2:6][CH2:7][CH:8]([c:9]1[n:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1