HRID116509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID104755

Silver ion (1+)

Ag+

结构：[N-]=[N+]=NC(C(=O)OCc1ccccc1)N1C(=O)C2N=C(COc3ccccc3)SC21

HCID14230812

未命名化合物

PRODUCTS

生成物

HCID23954

Silver

结构：[N-]=[N+]=NC(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1S

HCID14230814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97fc389d456b4d198845263960166d75
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

[Ag+:36].[B-:31]([F:32])([F:33])([F:34])[F:35].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]([N:12]=[N+:13]=[N-:14])[N:15]1[C:16](=[O:30])[CH:17]2[N:18]=[C:19]([CH2:22][O:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[S:20][CH:21]12.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:53].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[Ag:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]([N:12]=[N+:13]=[N-:14])[N:15]1[C:16](=[O:30])[CH:17]([NH:18][C:19]([CH2:22][O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)=[O:44])[CH:21]1[SH:20]