HRID186662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID14821711

tert-Butyl 2-(bromomethyl)pyrrolidine-1-carboxylate

C10H18BrNO2

HCID15270984

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21

HCID59513632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a23e8033de14248a3792940732befee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:20][CH2:21][CH:22]1[N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]1.[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[ClH:34].[NH2:1][c:2]1[c:3]([C:15](=[O:16])[NH2:17])[cH:4][c:5]2[c:6]([nH:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]23)[n:14]1.[Na+:19].[OH-:18].[OH2:62].[S:40]([O-:41])([OH:42])(=[O:43])=[O:44]>>[NH2:1][c:2]1[c:3]([C:15](=[O:16])[NH2:17])[cH:4][c:5]2[c:6]([n:7]([CH2:21][CH:22]3[N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]3)[c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]23)[n:14]1