HRID179269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CN1C(=O)C(Cc2ccc3ccccc3c2)N=C(N2CCC(N)CC2)c2cc(Cl)ccc21

HCID67282603

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CCN(C2=NC(Cc3ccc4ccccc4c3)C(=O)N(C)c3ccc(Cl)cc32)CC1

HCID67282314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b5d6d9992a2443e848cac60d09fd693
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

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41](=[O:42])[O:43][C:44](=[O:45])[CH3:46].[CH3:47][OH:48].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:49][CH2:50][Cl:51].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8]2=[N:14][CH:13]([CH2:15][c:16]3[cH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]3)[C:12](=[O:26])[N:11]([CH3:27])[c:10]3[c:9]2[cH:31][c:30]([Cl:32])[cH:29][cH:28]3)[CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([C:8]2=[N:14][CH:13]([CH2:15][c:16]3[cH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]3)[C:12](=[O:26])[N:11]([CH3:27])[c:10]3[c:9]2[cH:31][c:30]([Cl:32])[cH:29][cH:28]3)[CH2:6][CH2:7]1)[C:41]([CH3:40])=[O:42]