HRID702525

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

HCID19762494

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(c1ccc(Cl)cc1)c1ccccn1

HCID178483547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c23e6c3cebfe4c758cee2787f07fd7bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:24](=[O:25])([n:26]1[cH:27][cH:28][n:29][cH:30]1)[n:31]1[cH:32][cH:33][n:34][cH:35]1.[C:52]([O:53][CH2:54][CH3:55])(=[O:56])[CH3:57].[CH3:50][OH:51].[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][NH2:16])[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1.[NH:36]([C:37](=[NH:38])[NH2:39])[c:40]1[s:41][cH:42][c:43]([CH2:45][S:46][CH2:47][CH2:48][NH2:49])[n:44]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][NH:16][C:24](=[O:25])[NH:49][CH2:48][CH2:47][S:46][CH2:45][c:43]2[cH:42][s:41][c:40]([NH:36][C:37](=[NH:38])[NH2:39])[n:44]2)[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1