HRID682390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1(C)COC(CSCC(=O)N2C(=O)OCC2c2ccccc2)(c2ccccc2)OC1

HCID69539057

未命名化合物

结构：CC(C)(C)OC(=O)COc1ccc(C=Nc2ccc(F)cc2)cc1

HCID86619087

未命名化合物

PRODUCTS

生成物

结构：CC1(C)COC(CSC(C(=O)N2C(=O)OCC2c2ccccc2)C(Nc2ccc(F)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)(c2ccccc2)OC1

HCID91595889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25c1c570cabc4fcaba788aaa972d7c87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH:61]([CH3:62])[CH3:63])[CH3:64].[CH3:1][C:2]1([CH3:31])[CH2:3][O:4][C:5]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][S:15][CH2:16][C:17](=[O:18])[N:19]2[C:20](=[O:30])[O:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[O:6][CH2:7]1.[CH:65]([OH:66])([CH3:67])[CH3:68].[Cl:69][CH2:70][Cl:71].[F:32][c:33]1[cH:34][cH:35][c:36]([N:39]=[CH:40][c:41]2[cH:42][cH:43][c:44]([O:45][CH2:46][C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:54][cH:55]2)[cH:37][cH:38]1.[OH2:72]>>[CH3:1][C:2]1([CH3:31])[CH2:3][O:4][C:5]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][S:15][CH:16]([C:17](=[O:18])[N:19]2[C:20](=[O:30])[O:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH:40]([NH:39][c:36]2[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]2)[c:41]2[cH:42][cH:43][c:44]([O:45][CH2:46][C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:54][cH:55]2)[O:6][CH2:7]1