HRID107523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID28123

Tetrahydroborate

H4B-

HCID78072

Quinoline-4-carbaldehyde

C10H7NO

结构：NC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C(Cc2ccccc2)C1

HCID21220201

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(Cl)cc(Cl)c1)N1CCC(NCc2ccnc3ccccc23)CC1Cc1ccccc1

HCID19035945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fdb7bd4bce74a3597107c0e6736a47e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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