HRID1125766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68263

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

C7H6N4O

HCID19762569

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)CCN(Cc1ccc(F)cc1)c1ccccn1

HCID178483845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c30cdc50c033446592b6240c844ad47a
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: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.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([CH2:17][CH2:18][CH2:19][NH2:20])[CH3:21])[cH:22][cH:23]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>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([CH2:17][CH2:18][CH2:19][NH:20][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)[CH3:21])[cH:22][cH:23]1