HRID1218837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID736487

5-Bromoisoquinoline

C9H6BrN

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID2756543

tert-Butyl (3-aminopropyl)methylcarbamate

C9H20N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID21979883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc08ac9b2d914f05917a682e70a0a282
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:1][c:2]1[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1.[C:12]([P:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1-[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([CH3:30])([CH3:31])[CH3:32].[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38]([N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][NH2:44])=[O:45].[CH3:46][C:47]([CH3:48])([O-:49])[CH3:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Na+:51]>>[c:2]1([NH:44][CH2:43][CH2:42][CH2:41][N:39]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:45])[CH3:40])[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1