HRID161018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID79030

(+/-)-Leucinol

C6H15NO

结构：CC(C)(C)OC(=O)N1CCC(Nc2nc3nc(SCc4ccccc4)nc(Cl)c3s2)CC1

HCID86760110

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(CO)Nc1nc(SCc2ccccc2)nc2nc(NC3CCN(C(=O)OC(C)(C)C)CC3)sc12

HCID87798491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01ffd98e92574afcab5a8aca93f44422
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

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