HRID671268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

结构：CC1(C)OCC(CCNC(=O)C2NC(CC3(CO)CC=CCC3)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)O1

HCID178431416

未命名化合物

PRODUCTS

生成物

结构：N#CC1(c2ccc(Cl)cc2F)C(CC2(CO)CC=CCC2)NC(C(=O)NCCC(O)CO)C1c1cccc(Cl)c1F

HCID178509351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40fb3a8a901f4f088fd2391e4214adfd
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

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