HRID672744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID1146

Trimethylamine

C3H9N

HCID6331

Borane

H3B

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID21906418

2-Amino-5-chloro-N-(5-chloropyridin-2-yl)benzamide

C12H9Cl2N3O

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(C(C)(C)C)ccc2C=O)CC1

HCID86634204

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(C(C)(C)C)ccc2CNc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID68533836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9594e5b565124fdf90d8403f2765f7fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH3:72].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:13][CH:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[c:8]([CH:9]=[O:10])[cH:11][cH:12]1.[CH3:68][N:69]([CH3:70])[CH3:71].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[Cl:27][c:28]1[cH:29][cH:30][c:31]([NH:34][C:35]([c:36]2[c:37]([NH2:43])[cH:38][cH:39][c:40]([Cl:42])[cH:41]2)=[O:44])[n:32][cH:33]1.[Mg+2:62].[O-:63][S:64](=[O:65])(=[O:66])[O-:67].[c:45]1([CH3:46])[cH:47][cH:48][c:49]([S:50]([O-:51])(=[O:52])=[O:53])[cH:54][cH:55]1.[nH+:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:13][CH:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[c:8]([CH2:9][NH:43][c:37]2[c:36]([C:35]([NH:34][c:31]3[cH:30][cH:29][c:28]([Cl:27])[cH:33][n:32]3)=[O:44])[cH:41][c:40]([Cl:42])[cH:39][cH:38]2)[cH:11][cH:12]1