HRID195443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(NS(=O)C(C)(C)C)(C3CC3)C3CC3)s2)c1

HCID67430001

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(N)(C3CC3)C3CC3)s2)c1

HCID58456217

2-Pyrimidinamine, N-[3-[2-(aminodicyclopropylmethyl)-5-thiazolyl]-5-methylphenyl]-4-(trifluoromethyl)-

C22H22F3N5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5ab01ef001e48f5b14bcc2f318dc4ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][OH:40].[CH:1]1([C:4]([NH:5][S:6]([C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])([c:12]2[s:13][c:14](-[c:17]3[cH:18][c:19]([CH3:34])[cH:20][c:21]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[n:29]4)[cH:22]3)[cH:15][n:16]2)[CH:35]2[CH2:36][CH2:37]2)[CH2:2][CH2:3]1.[ClH:38]>>[CH:1]1([C:4]([NH2:5])([c:12]2[s:13][c:14](-[c:17]3[cH:18][c:19]([CH3:34])[cH:20][c:21]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[n:29]4)[cH:22]3)[cH:15][n:16]2)[CH:35]2[CH2:36][CH2:37]2)[CH2:2][CH2:3]1