HRID291614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID88098

N-Isopropylethylenediamine

C5H14N2

结构：Cc1ccc(C(=O)NC(C)C)cc1-c1nc(S(C)=O)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID11950820

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC(C)C)cc1-c1nc(NCCNC(C)C)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID11950448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89cbcd9563124847a9e0907aa38811c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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