HRID668287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID665568

4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole

C7H13N3S

HCID178494335

未命名化合物

HCID178512723

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]cnc1CSCCNC1=NS(=O)(=O)N=C1NCCSCc1csc(NC(=N)N)n1

HCID178433672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5687c889387457db3ae9e5ff664deaa
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

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