HRID682874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID104812

Orthosilicate

O4Si-4

HCID15547048

10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H12N2

结构：O=C(Cl)c1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1

HCID22099663

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cc1ccccc1

HCID18917517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faab9751d7504ed3acc2035645eb07f1
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

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