HRID2326273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID7504

Benzylamine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

结构：O=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID618253

1-Trityl-1H-imidazole-2-carbaldehyde

C23H18N2O

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：c1ccc(CNCc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID21982904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4059c3002ecf4ba4b5c04574d0b4351b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[c:21]([CH:25]=[O:26])[n:22][cH:23][cH:24]1.[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:62]([O:63][CH2:64][CH3:65])(=[O:66])[CH3:67].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Mg+2:27].[NH2:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:54].[O-:28][S:29](=[O:30])(=[O:31])[O-:32].[OH2:68]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[c:21]([CH2:25][NH:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[n:22][cH:23][cH:24]1