HRID1205437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID61778

Bisulfate anion

HO4S-

HCID166653

Hydride

H-

HCID4460490

tert-butyl N-(3-bromopropyl)carbamate

C8H16BrNO2

结构：Cn1ncc(NC=O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904512

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(N(C=O)CCCNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3896f2ef65c24c6796104f4ac16dbd29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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