HRID315421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID197148

Chlorite

ClO2-

HCID5314561

3-hydroxy-5-methoxybenzaldehyde

C8H8O3

结构：CNCc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1

HCID21935818

未命名化合物

HCID21935825

未命名化合物

HCID22490247

Ethyl-bromoisobutyrate

C6H10BrO2-

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(OC)cc(C(=O)N(C)Cc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)c1

HCID67072341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-781415ea65f14964ba685e31b0fd291e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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