HRID286509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID68522

Benzene, (3-bromopropoxy)-

C9H11BrO

结构：COC(=O)C1=C(C)NC2=C(C(=O)CNC2)C1c1c(F)c(F)c(F)c(F)c1F

HCID13061758

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC2=C(C(=O)CN(CCCOc3ccccc3)C2)C1c1c(F)c(F)c(F)c(F)c1F

HCID13506776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e23a66e674e14fb2be677372a221821e
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

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