HRID137877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID12522097

未命名化合物

结构：O=C(O)CNC(=O)C(Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1

HCID178525925

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccccc2)CCN1C(=O)CNC(=O)C(Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1

HCID9915820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67a190cc993d489aa25bee9439de8d11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([C:10](=[O:11])[NH:12][CH:13]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[OH:20])[CH2:21][c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[o:9]2)[cH:28]1.[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1.[c:29]1([N:35]2[CH2:36][CH:37]([CH3:41])[NH:38][CH2:39][CH2:40]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([C:10](=[O:11])[NH:12][CH:13]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:20])[N:38]3[CH:37]([CH3:41])[CH2:36][N:35]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[CH2:40][CH2:39]3)[CH2:21][c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[o:9]2)[cH:28]1