HRID109252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID90908

2-Pyrrolidinemethanol

C5H11NO

结构：Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID23502784

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1cc(N2CCCC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID78073999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3744246fdb9a440ea91476a4e7f8e449
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:44](=[O:45])([O-:46])[O-:47].[CH3:50][S:51](=[O:52])[CH3:53].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:32])[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[K+:48].[K+:49].[NH:37]1[CH:38]([CH2:39][OH:40])[CH2:41][CH2:42][CH2:43]1.[OH2:54]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:37]3[CH:38]([CH2:39][OH:40])[CH2:41][CH2:42][CH2:43]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]