HRID172199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCNC1

HCID18426146

未命名化合物

HCID59556058

Bicyclo[2.2.2]octan-2-one, 5-hydroxy-5-(3-pyridinyl)-

C13H15NO2

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CC3CCC2CC3(O)c2cccnc2)C1

HCID178521338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5857ded8f1c848e5bee4788a144ade14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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