HRID671937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID139882

4-t-Butylbenzenesulfonyl chloride

C10H13ClO2S

HCID166653

Hydride

H-

HCID19689525

未命名化合物

PRODUCTS

生成物

结构：CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2Br)nc1

HCID11071742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b11696ac6ab46968bd929aeb4ac8372
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH2:20])[n:4][cH:5][n:6][c:7]1[O:8][CH2:9][CH2:10][O:11][c:12]1[n:13][cH:14][c:15]([S:18][CH3:19])[cH:16][n:17]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[Cl:36])[cH:31][cH:32]1.[Cl-:37].[H-:21].[NH4+:38].[Na+:22].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[Br:1][c:2]1[c:3]([NH:20][S:33]([c:30]2[cH:29][cH:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:32][cH:31]2)(=[O:34])=[O:35])[n:4][cH:5][n:6][c:7]1[O:8][CH2:9][CH2:10][O:11][c:12]1[n:13][cH:14][c:15]([S:18][CH3:19])[cH:16][n:17]1