HRID123447

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

HCID19762597

未命名化合物

HCID178512723

未命名化合物

PRODUCTS

生成物

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

HCID178483546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c60346564a449f8a187ae8580653d07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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