HRID208583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：Cc1ccc(-n2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Oc3ccc(-c4ccc(O)cc4)cc3)c2=O)cc1

HCID69245445

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Oc3ccc(-c4ccc(OC(=O)C(C)(C)C)cc4)cc3)c2=O)cc1

HCID58585365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc065ca5a74f40e3b079c3858b6c5b7c
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

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