HRID105956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID26255

Tetrafluoroborate

BF4-

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID268473

未命名化合物

HCID17794678

未命名化合物

PRODUCTS

产物

HCID178472592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a0f2f5ae50ac42349f836604d573875f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[B-:43]([F:44])([F:45])([F:46])[F:47].[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][CH:35]([CH2:36][CH:37]([CH3:38])[CH3:39])[C:40](=[O:41])[OH:42].[CH3:16][c:17]1[cH:18][cH:19][c:20]([S:21]([OH:22])(=[O:23])=[O:24])[cH:25][cH:26]1.[n:1]1[n:2]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:3][c:4]2[c:9]1[CH2:8][CH2:7][NH:6][CH2:5]2.[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[n:1]1[n:2]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:3][c:4]2[c:9]1[CH2:8][CH2:7][N:6]([C:40]([CH:35]([NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:36][CH:37]([CH3:38])[CH3:39])=[O:41])[CH2:5]2