HRID114526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2771826

tert-Butyl 1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate

C14H20N2O2

结构：Cc1cc(C(=O)O)ccc1CCCC(=O)N1CCN(CCC(C)(C)C)CC1

HCID57555227

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)ccc1CCCC(=O)N1CCN(CCC(C)(C)C)CC1

HCID57555374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1305cf7badfb425ebf5d4639b50cb23e
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

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