HRID1545943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID10776465

2-Methylpyridin-3-yl trifluoromethanesulfonate

C7H6F3NO3S

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC(O)CC2CO)cc1I

HCID87304382

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1-c1cc(N2CC(O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178432681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8979d38d4444c679580643f05f9c93b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:17][C:18](=[O:19])[O-:20].[CH3:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Cl:69][CH2:70][Cl:71].[F:21][C:22]([c:23]1[cH:24][c:25]([C:33]([C:34](=[O:35])[N:36]([CH3:37])[c:38]2[cH:39][n:40][c:41]([N:45]3[CH:46]([CH2:51][OH:52])[CH2:47][CH:48]([OH:50])[CH2:49]3)[cH:42][c:43]2[I:44])([CH3:53])[CH3:54])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:55])[F:56].[K+:16].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[OH2:68]>>[CH3:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:43]1[c:38]([N:36]([C:34]([C:33]([c:25]2[cH:24][c:23]([C:22]([F:21])([F:55])[F:56])[cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[cH:26]2)([CH3:53])[CH3:54])=[O:35])[CH3:37])[cH:39][n:40][c:41]([N:45]2[CH:46]([CH2:51][OH:52])[CH2:47][CH:48]([OH:50])[CH2:49]2)[cH:42]1