HRID123645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID21639

2-Amino-1-(4-bromophenyl)ethanone

C8H8BrNO

HCID81531

Diisopropylethylamine

C8H19N

HCID1512646

1-[(tert-Butoxycarbonyl)amino]cyclobutane-1-carboxylic acid

C10H17NO4

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NCC(=O)c2ccc(Br)cc2)CCC1

HCID66620541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ac7c4680e1e4e0ea5152ea626c362b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][C:21]1([C:25](=[O:26])[OH:27])[CH2:22][CH2:23][CH2:24]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:12].[NH2:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[NH:1]([CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1)[C:25]([C:21]1([NH:20][C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:22][CH2:23][CH2:24]1)=[O:26]