HRID1567128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID260

Hydrogen Bromide

BrH

结构：CCSc1sc(C(=N)N)cc1-c1csc(Nc2cc(OC)ccc2OC)n1

HCID18672219

未命名化合物

结构：COC(=S)c1cc(-c2csc(Nc3cc(OC)ccc3OC)n2)c(C)s1

HCID86583830

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC)c(Nc2nc(-c3cc(C(=N)N)sc3SC)cs2)c1

HCID18537461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12b9f15c04c847ca8bccb55297a09a1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BrH:28].[CH3:1][O:2][c:3]1[c:4]([NH:11][c:12]2[s:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([C:25](=[NH:26])[NH2:27])[s:20][c:21]3[S:22][CH2:23][CH3:24])[n:16]2)[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1.[CH3:29][O:30][c:31]1[cH:32][cH:33][c:34]([O:35][CH3:36])[cH:37][c:38]1[NH:39][c:40]1[s:41][cH:42][c:43](-[c:44]2[cH:45][c:46]([C:47]([O:48][CH3:49])=[S:50])[s:51][c:52]2[CH3:53])[n:54]1.[NH3:55]>>[CH3:1][O:2][c:3]1[c:4]([NH:11][c:12]2[s:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([C:25](=[NH:26])[NH2:27])[s:20][c:21]3[S:22][CH3:23])[n:16]2)[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1