HRID1566175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452590

未命名化合物

结构：CCc1cc(N)c(OC)cc1N1CCC(CCS(C)(=O)=O)CC1

HCID59452839

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(CCS(C)(=O)=O)CC1

HCID59452827

N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-methoxy-4-[4-[2-(methylsulfonyl)ethyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide

C42H43F2N7O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d0821ada9fb47039f6680db099cb4f8
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

[CH2:36]([CH3:37])[c:38]1[c:39]([N:47]2[CH2:48][CH2:49][CH: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.[CH3:67][OH:68].[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][CH3:35])[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.[ClH:59].[NH3:66].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]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][CH:50]([CH2:53][CH2:54][S:55](=[O:56])(=[O:57])[CH3:58])[CH2:51][CH2:52]3)[c:38]([CH2:36][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][CH3:35])[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