HRID190131

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

HCID577752

2,3,4,5-Tetrahydro-1,5-benzoxazepine

C9H11NO

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)N2CCCOc3ccccc32)ccc1CCCC(=O)N1CCN(CCC(C)(C)C)CC1

HCID57555261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f4c38fbc98841b593462b001dc09711
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[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].[CH3:48][N:49]([c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1)[CH3:56].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:57][CH2:58][Cl:59].[cH:28]1[cH:29][cH:30][cH:31][c:32]2[c:33]1[NH:34][CH2:35][CH2:36][CH2:37][O:38]2>>[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:21])[N:34]3[c:33]4[cH:28][cH:29][cH:30][cH:31][c:32]4[O:38][CH2:37][CH2:36][CH2:35]3)[cH:22][cH:23]2)=[O:25])[CH2:9][CH2:10]1)([CH3:26])[CH3:27]