HRID2349908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11989522

未命名化合物

HCID23110072

未命名化合物

HCID86621993

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(C)c(-c2csc(C(=O)Nc3ccc4c(c3)OC(C)(C)OC4=O)n2)s1

HCID86621995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e162a4fb3744f1aaa82c68f1afa7a4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:11]2[n:12][c:13]([C:16](=[O:17])[Cl:18])[s:14][cH:15]2)[c:8]([CH3:10])[n:9]1.[C:33]([CH2:34][c:35]1[s:36][cH:37][c:38](-[c:39]2[s:40][c:41]([NH:42][C:43](=[O:44])[CH3:45])[n:46][c:47]2[CH3:48])[n:49]1)#[N:50].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:63][CH2:64][Cl:65].[NH2:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:32]1)[O:25][C:26]([CH3:30])([CH3:31])[O:27][C:28]2=[O:29]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:11]2[n:12][c:13]([C:16](=[O:17])[NH:19][c:20]3[cH:21][cH:22][c:23]4[c:24]([cH:32]3)[O:25][C:26]([CH3:30])([CH3:31])[O:27][C:28]4=[O:29])[s:14][cH:15]2)[c:8]([CH3:10])[n:9]1