HRID683186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID20097636

tert-Butyl 3-bromo-1H-indole-1-carboxylate

C13H14BrNO2

结构：COc1ccc(C(C)N2CCCC2c2cncc(B3OC(C)(C)C(C)(C)O3)c2)cc1

HCID91131105

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)N2CCCC2c2cncc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2)cc1

HCID66889941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0fe7e67e2ae48d2a9c5170ca53e6c37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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