HRID214201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID285501

1-(piperidin-1-ylsulfonyl)piperazine

C9H19N3O2S

HCID67017931

未命名化合物

PRODUCTS

产物

HCID68565981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6e2f33f885114653b26d7f7075d8524e
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-:25]([F:26])([F:27])([F:28])[F:29].[Br:2][c:3]1[c:4]([O:15][CH:16]2[CH2:17][CH2:18][N:19]([CH:22]([CH3:23])[CH3:24])[CH2:20][CH2:21]2)[cH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[OH:14])[nH:9][c:10]2[cH:11]1.[C:71](=[O:72])([OH:73])[O-:74].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[ClH:1].[N:47]1([S:53](=[O:54])(=[O:55])[N:56]2[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Na+:75].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[Br:2][c:3]1[c:4]([O:15][CH:16]2[CH2:17][CH2:18][N:19]([CH:22]([CH3:23])[CH3:24])[CH2:20][CH2:21]2)[cH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[N:59]3[CH2:58][CH2:57][N:56]([S:53]([N:47]4[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]4)(=[O:54])=[O:55])[CH2:61][CH2:60]3)[nH:9][c:10]2[cH:11]1