HRID820942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCC1CC(N(Cc2cc(C#N)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c2cc(C(F)(F)F)ccc2N1C(=O)OCC(=O)OC(C)(C)C

HCID178436786

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(N(Cc2cc(C#N)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c2cc(C(F)(F)F)ccc2N1C(=O)OCC(=O)O

HCID178436785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3130fed1accf4bbe9d7471d82a3de763
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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