HRID1545311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID57917574

未命名化合物

HCID66879162

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)cc3)CC2)c1F

HCID25191755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be401be4c4024ac0800beeadf0ca85e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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