HRID1134234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID6228

Dimethylformamide

C3H7NO

HCID8454

N-Methylpyrrolidine

C5H11N

HCID1516506

Azetidin-3-amine

C3H8N2

HCID15486977

未命名化合物

PRODUCTS

产物

HCID510379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b981d1916bd34cd5bceabeb372d20edb
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

[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[ClH:32].[ClH:33].[NH2:34][CH:35]1[CH2:36][NH:37][CH2:38]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]([F:24])[c:21]([Br: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:37]4[CH2:36][CH:35]([NH2:34])[CH2:38]4)[c:21]([Br:23])[c:22]23)[n:12]1