HRID675264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID643373

2-methylnicotinic acid

C7H7NO2

结构：CC(C)C(N)CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

HCID67165123

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1C(=O)NC(CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12)C(C)C

HCID67165743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29efc795e2904ed8ba4199c91f59a55e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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