HRID1115124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID12699000

Ethyl 2-oxopyrrolidine-3-carboxylate

C7H11NO3

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CBr)s2)c1

HCID58456292

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(Cc2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCNC1=O

HCID58456303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61685a3694154fc1bb60b08e2d4f3ad9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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