HRID198558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID219302

Oxane-4-carboxylic acid

C6H10O3

结构：O=C1N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1C1CNCC1c1ccc(F)cc1

HCID123567535

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CCOCC1)N1CC(c2ccc(F)cc2)C(N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)C1

HCID89961439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10e20a77ae7e47168454f67b8bf3260a
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

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