HRID137245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID11446434

4-pyridin-4-ylbutanal

C9H11NO

结构：Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCNCCc2cccnc2)c1

HCID22120671

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN(CCCCc2ccncc2)CCc2cccnc2)c1

HCID22120676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7b84d184c464816bd54b4e8277134e8
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

[C:52]([BH3-:53])#[N:54].[CH:12]12[CH2:13][CH2:14][CH:15]([CH2:16][CH2:17]1)[N:18]2[C:19]([C:20]([CH3:21])([CH3:22])[c:23]1[cH:24][c:25]2[c:26]([CH2:40][CH2:41][NH:42][CH2:43][CH2:44][c:45]3[cH:46][n:47][cH:48][cH:49][cH:50]3)[c:27](-[c:32]3[cH:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]3)[nH:28][c:29]2[cH:30][cH:31]1)=[O:51].[Na+:55].[n:1]1[cH:2][cH:3][c:4]([CH2:7][CH2:8][CH2:9][CH:10]=[O:11])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][CH2:8][CH2:9][CH2:10][N:42]([CH2:41][CH2:40][c:26]2[c:25]3[cH:24][c:23]([C:20]([C:19]([N:18]4[CH:12]5[CH2:13][CH2:14][CH:15]4[CH2:16][CH2:17]5)=[O:51])([CH3:21])[CH3:22])[cH:31][cH:30][c:29]3[nH:28][c:27]2-[c:32]2[cH:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]2)[CH2:43][CH2:44][c:45]2[cH:46][n:47][cH:48][cH:49][cH:50]2)[cH:5][cH:6]1