HRID1135119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

HCID11446434

4-pyridin-4-ylbutanal

C9H11NO

结构：CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN)c2c1

HCID12149992

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1

HCID22100905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0347ab88db5d4b16bbbdc505df4193f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH4-:48].[CH3:55][OH:56].[Cl:52][CH2:53][Cl:54].[Mg+2:42].[NH2:1][CH2:2][CH2:3][c:4]1[c:5](-[c:23]2[cH:24][c:25]([CH3:30])[cH:26][c:27]([CH3:29])[cH:28]2)[nH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14](=[O:15])[N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])([CH3:21])[CH3:22])[cH:11][c:12]12.[NH4+:51].[Na+:49].[O-:43][S:44](=[O:45])(=[O:46])[O-:47].[OH-:50].[n:31]1[cH:32][cH:33][c:34]([CH2:37][CH2:38][CH2:39][CH:40]=[O:41])[cH:35][cH:36]1>>[NH:1]([CH2:2][CH2:3][c:4]1[c:5](-[c:23]2[cH:24][c:25]([CH3:30])[cH:26][c:27]([CH3:29])[cH:28]2)[nH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14](=[O:15])[N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])([CH3:21])[CH3:22])[cH:11][c:12]12)[CH2:40][CH2:39][CH2:38][CH2:37][c:34]1[cH:33][cH:32][n:31][cH:36][cH:35]1