HRID1574393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6340

Ethane, iodo-

C2H5I

HCID7914

Isopropyl ether

C6H14O

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(N2CCN(NC(=S)NCC(OC)OC)CC2)cc1

HCID12952717

未命名化合物

PRODUCTS

生成物

HCID24841

Hydrogen iodide

结构：CCSC(=NN1CCN(c2ccc(OC)cc2)CC1)NCC(OC)OC

HCID178477461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74ad1465e38c40a1b51d27701cf051a2
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

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