HRID312134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

2 次

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID8454

N-Methylpyrrolidine

C5H11N

HCID10086969

N-methylazetidin-3-amine

C4H10N2

结构：Nc1nc(-n2cc(C(=O)O)c(=O)c3c(N)c(F)c(F)c(Cl)c32)c(F)cc1F

HCID22121165

未命名化合物

PRODUCTS

生成物

结构：CNC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2Cl)C1

HCID22121251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a177ed7ca9242f096e872b21cff6b59
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

[C:34]([OH:35])(=[O:36])[CH3:37].[C:38]([OH:39])(=[O:40])[CH3:41].[CH2:54]([O:55][CH2:56][CH3:57])[CH3:58].[CH3:42][NH:43][CH:44]1[CH2:45][NH:46][CH2:47]1.[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[NH2:7][c:8]1[c:9]2[c:10](=[O:33])[c:11]([C:30](=[O:31])[OH:32])[cH:12][n:13](-[c:21]3[n:22][c:23]([NH2:29])[c:24]([F:28])[cH:25][c:26]3[F:27])[c:14]2[c:15]([Cl:20])[c:16]([F:19])[c:17]1[F:18].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[NH2:7][c:8]1[c:9]2[c:10](=[O:33])[c:11]([C:30](=[O:31])[OH:32])[cH:12][n:13](-[c:21]3[n:22][c:23]([NH2:29])[c:24]([F:28])[cH:25][c:26]3[F:27])[c:14]2[c:15]([Cl:20])[c:16]([N:46]2[CH2:45][CH:44]([NH:43][CH3:42])[CH2:47]2)[c:17]1[F:18]