HRID93556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6581

Acrylic acid

C3H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

结构：COCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(C)N

HCID67333476

未命名化合物

PRODUCTS

生成物

结构：C=CC(=O)NC(C)C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCOC

HCID67335503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-064d17195c794e1da6609d213c09c93e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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