HRID184824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID58042302

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)ccc3O)n2)CC1

HCID135743683

1,1-Dimethylethyl 4-[4-(5-chloro-2-hydroxyphenyl)-2-pyrimidinyl]-1-piperazinecarboxylate

C19H23ClN4O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)ccc3Oc3ccc(S(=O)(=O)Nc4ncns4)cc3C#N)n2)CC1

HCID66905486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c06fa6cb3b0f4fb2a56e7bc5ec1c2758
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

[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][cH:16][n:17][s:18]2)[cH:6][cH:7][c:8]1[F:9].[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][S:53](=[O:54])[CH3:55].[Cl-:56].[Cl:19][c:20]1[cH:21][cH:22][c:23]([OH:45])[c:24](-[c:26]2[n:27][c:28]([N:32]3[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]3)[n:29][cH:30][cH:31]2)[cH:25]1.[K+:50].[K+:51].[NH4+:57]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][cH:16][n:17][s:18]2)[cH:6][cH:7][c:8]1[O:45][c:23]1[cH:22][cH:21][c:20]([Cl:19])[cH:25][c:24]1-[c:26]1[n:27][c:28]([N:32]2[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]2)[n:29][cH:30][cH:31]1