HRID1542988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

结构：COc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(Cl)cc1N

HCID59452882

未命名化合物

结构：CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452941

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cc(Cl)c(N4CCN(CCS(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b176a15ea3664f9c88b5783cbe37d9e3
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

[CH3:81][OH:82].[CH:77]([OH:78])([CH3:79])[CH3:80].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH2:35][CH3:36])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[Cl:37][c:38]1[c:39]([N:47]2[CH2:48][CH2:49][N:50]([CH2:53][CH2:54][S:55](=[O:56])(=[O:57])[CH3:58])[CH2:51][CH2:52]2)[cH:40][c:41]([O:45][CH3:46])[c:42]([NH2:43])[cH:44]1.[NH3:76].[c:59]1([CH3:60])[cH:61][cH:62][c:63]([S:64]([O-:65])(=[O:66])=[O:67])[cH:68][cH:69]1.[nH+:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([NH:43][c:42]2[c:41]([O:45][CH3:46])[cH:40][c:39]([N:47]3[CH2:48][CH2:49][N:50]([CH2:53][CH2:54][S:55](=[O:56])(=[O:57])[CH3:58])[CH2:51][CH2:52]3)[c:38]([Cl:37])[cH:44]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH2:35][CH3:36])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1