HRID2317405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

结构：CC1(C)OC(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc2O1

HCID22351418

未命名化合物

结构：CC(C)(C)OC(=O)N(CC1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2O1)CC(COc1ccccc1)O[Si](C)(C)C(C)(C)C

HCID178453020

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CC1CCc2cc(-c3ccc4c(c3)OC(C)(C)OC4=O)ccc2O1)CC(COc1ccccc1)O[Si](C)(C)C(C)(C)C

HCID178453021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ca16240e21444119e762c94c71fa1b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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