HRID1235770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID16217865

2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane

C16H19BN2O3

结构：Cc1nc(N)nc2c1C(=NOC(CCO)C(=O)N(C)C)NC(c1ccc(F)cc1Br)C2

HCID178433348

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(-c2cc(F)ccc2C2Cc3nc(N)nc(C)c3C(=NOC(CCO)C(=O)N(C)C)N2)n1

HCID178489718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26dcca4bc6124d2b894f7523357b33ed
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

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