HRID169608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：Cc1nnnn1-c1cc(COS(C)(=O)=O)cc(C(F)(F)F)c1

HCID18942153

未命名化合物

HCID21584093

未命名化合物

PRODUCTS

生成物

结构：Cc1nnnn1-c1cc(COC2CCCN(C(=O)OC(C)(C)C)C2c2ccccc2)cc(C(F)(F)F)c1

HCID18942152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7e0dc978eaa46d5871c90226e0e2cf2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH:12]([OH:16])[CH2:13][CH2:14][CH2:15]1.[C:45](=[O:46])([O-:47])[OH:48].[CH3:23][S:24]([O:25][CH2:28][c:29]1[cH:30][c:31](-[n:39]2[n:40][n:41][n:42][c:43]2[CH3:44])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)(=[O:26])=[O:27].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[H-:1].[Na+:2].[Na+:49].[OH2:55]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH:12]([O:16][CH2:28][c:29]2[cH:30][c:31](-[n:39]3[n:40][n:41][n:42][c:43]3[CH3:44])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]2)[CH2:13][CH2:14][CH2:15]1