HRID161697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID24208789

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C13H17BN2O2

HCID59424410

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(-c2cn(C3CCCCO3)nc2-c2cnc3[nH]ccc3c2)n1

HCID57856253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d4d1f25ce1240ba93991ac1694ebb5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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