HRID124347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID498716

未命名化合物

HCID22561972

2-(1H-1,2,3-Triazol-1-yl)ethan-1-amine

C4H8N4

结构：O=Cc1ccc(OCc2coc(C=Cc3ccc(S(=O)C(F)(F)F)cc3)n2)cc1

HCID90792229

未命名化合物

PRODUCTS

生成物

结构：O=S(c1ccc(C=Cc2nc(COc3ccc(CNCCn4ccnn4)cc3)co2)cc1)C(F)(F)F

HCID69291905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a12fa675042c44af9a6973f8c2fc3adb
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

[C:49]([BH3-:50])#[N:51].[CH3:38][c:39]1[cH:40][cH:41][c:42]([S:43](=[O:44])(=[O:45])[OH:46])[cH:47][cH:48]1.[CH3:53][OH:54].[F:1][C:2]([S:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]=[CH:12][c:13]2[o:14][cH:15][c:16]([CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27]3)[n:17]2)[cH:9][cH:10]1)([F:28])[F:29].[Na+:52].[n:30]1([CH2:35][CH2:36][NH2:37])[n:31][n:32][cH:33][cH:34]1>>[F:1][C:2]([S:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]=[CH:12][c:13]2[o:14][cH:15][c:16]([CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]([CH2:24][NH:37][CH2:36][CH2:35][n:30]4[n:31][n:32][cH:33][cH:34]4)[cH:26][cH:27]3)[n:17]2)[cH:9][cH:10]1)([F:28])[F:29]