HRID182339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10422

Azetidine

C3H7N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID178418361

未命名化合物

结构：Cc1ccc(NC(=O)Nc2cccc(CN3CCN(C(=O)OCc4ccccc4)C(C)C3)c2F)cn1

HCID178426623

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)Nc2cccc(CN3CCN(C(=O)N4CCC4)C(C)C3)c2F)cn1

HCID68543845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c5e4216f041413b9cf9069e5d4dc2f0
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

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