HRID674648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(OS(C)(=O)=O)c4ccc(S(=O)(=O)N(C)C)cc4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID86647059

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(N)c4ccc(S(=O)(=O)N(C)C)cc4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID66611676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40ad7d713d0a46328688050ddc9175dd
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][S:2]([O:3][CH:6]([c:7]1[cH:8][cH:9][c:10]([S:13]([N:14]([CH3:15])[CH3:16])(=[O:17])=[O:18])[cH:11][cH:12]1)[c:19]1[cH:20][n:21][c:22]([NH:51][c:52]2[cH:53][n:54][c:55]([O:58][CH3:59])[cH:56][cH:57]2)[c:23](-[c:25]2[n:26][c:27]([CH3:50])[n:28][c:29]([N:31]([CH2:32][c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[CH2:41][c:42]3[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[n:30]2)[cH:24]1)(=[O:4])=[O:5].[Cl:61][CH2:62][Cl:63].[NH3:60].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1>>[CH:6]([c:7]1[cH:8][cH:9][c:10]([S:13]([N:14]([CH3:15])[CH3:16])(=[O:17])=[O:18])[cH:11][cH:12]1)([c:19]1[cH:20][n:21][c:22]([NH:51][c:52]2[cH:53][n:54][c:55]([O:58][CH3:59])[cH:56][cH:57]2)[c:23](-[c:25]2[n:26][c:27]([CH3:50])[n:28][c:29]([N:31]([CH2:32][c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[CH2:41][c:42]3[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[n:30]2)[cH:24]1)[NH2:60]