HRID2128981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8454

N-Methylpyrrolidine

C5H11N

HCID1514290

Azetidin-3-ol

C3H7NO

结构：Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Br)c32)c(F)cc1F

HCID15486977

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Br)c32)c(F)cc1F

HCID510577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36a501d77829475eb786b358105f97ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[ClH:32].[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([F:30])[c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([F:24])[c:21]([Br:23])[c:22]23)[n:12]1.[OH:33][CH:34]1[CH2:35][NH:36][CH2:37]1>>[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([F:30])[c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([N:36]4[CH2:35][CH:34]([OH:33])[CH2:37]4)[c:21]([Br:23])[c:22]23)[n:12]1