HRID186703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID21531

Triisopropyl orthoborate

C9H21BO3

HCID227251

methyl 3-amino-6-bromopyrazine-2-carboxylate

C6H6BrN3O2

HCID710729

1-(4-BROMOPHENYLSULFONYL)-4-METHYLPIPERAZINE

C11H15BrN2O2S

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N

HCID68531416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a71900cf0c384ec3ad0e6f92edac9829
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

[B:1]([O:2][CH:3]([CH3:4])[CH3:5])([O:6][CH:7]([CH3:8])[CH3:9])[O:10][CH:11]([CH3:12])[CH3:13].[Br:14][c:15]1[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[N:24]2[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]2)[cH:19][cH:20]1.[CH2:31]([Li:32])[CH2:33][CH2:34][CH3:35].[ClH:36].[NH2:43][c:44]1[c:45]([C:51](=[O:52])[O:53][CH3:54])[n:46][c:47]([Br:50])[cH:48][n:49]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[c:15]1(-[c:47]2[n:46][c:45]([C:51](=[O:52])[O:53][CH3:54])[c:44]([NH2:43])[n:49][cH:48]2)[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[N:24]2[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]2)[cH:19][cH:20]1