HRID203392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6580

Chloroacetamide

C2H4ClNO

HCID8471

Triethylamine

C6H15N

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCNCC2)CC1

HCID70941860

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCN(CC(N)=O)CC2)CC1

HCID178466305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-896014528e0248bb971c2cf073b79507
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]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:45][CH2:46][CH3:47])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[N:34]2[CH2:35][CH2:36][C:37]3([CH2:38][CH2:39]2)[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]3)[cH:9][n:10]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:48][CH2:49][C:50](=[O:51])[NH2:52].[OH2:65]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:45][CH2:46][CH3:47])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[N:34]2[CH2:35][CH2:36][C:37]3([CH2:38][CH2:39]2)[CH2:40][CH2:41][N:42]([CH2:49][C:50](=[O:51])[NH2:52])[CH2:43][CH2:44]3)[cH:9][n:10]1