HRID1151597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8454

N-Methylpyrrolidine

C5H11N

HCID10336591

N-ethylazetidin-3-amine

C5H12N2

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

HCID15434901

未命名化合物

PRODUCTS

生成物

结构：CCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2Cl)C1

HCID12135031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd6378d3d0bb4b5ea1a20de09589b3a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:34]([CH3:35])[NH:36][CH:37]1[CH2:38][NH:39][CH2:40]1.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[CH3:47][CH2:48][OH:49].[ClH:32].[ClH:33].[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]([Cl:23])[c:22]23)[n:12]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:39]4[CH2:38][CH:37]([NH:36][CH2:34][CH3:35])[CH2:40]4)[c:21]([Cl:23])[c:22]23)[n:12]1