HRID829807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID185647

1,1,2-Trifluoroethan-1-ol

C2H3F3O

结构：COc1cc(N2CCCN(CCS(C)(=O)=O)CC2)c(C)cc1N

HCID59452911

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(C)c(N4CCCN(CCS(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6e71c450fa84af3a1f6e0374c571886
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:37][c:38]1[c:39]([N:47]2[CH2:48][CH2:49][N:50]([CH2:54][CH2:55][S:56](=[O:57])(=[O:58])[CH3:59])[CH2:51][CH2:52][CH2:53]2)[cH:40][c:41]([O:45][CH3:46])[c:42]([NH2:43])[cH:44]1.[CH3:78][OH:79].[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:80][CH2:81][Cl:82].[F:71][CH2:72][C:73]([F:74])([F:75])[OH:76].[NH3:77].[c:60]1([CH3:61])[cH:62][cH:63][c:64]([S:65]([OH:66])(=[O:67])=[O:68])[cH:69][cH:70]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]([CH2:54][CH2:55][S:56](=[O:57])(=[O:58])[CH3:59])[CH2:51][CH2:52][CH2:53]3)[c:38]([CH3:37])[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