HRID151542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8007

Butylamine

C4H11N

HCID12246

2-Pentanamine

C5H13N

结构：CCCCNC(=O)OCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID22574469

未命名化合物

PRODUCTS

生成物

结构：CCCC(C)NC(=O)OCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID22574479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ddeebb0f3dd4bc8865ae8268f041e54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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