HRID825877

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：COc1ccc(C2(CSCC(=O)N3C(=O)OCC3c3ccccc3)OCC(C)(C)CO2)cc1

HCID69539017

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：COc1ccc(C2(CSC(C(=O)N3C(=O)OCC3c3ccccc3)C(Nc3ccc(F)cc3)c3ccc(OCC(=O)OC(C)(C)C)cc3)OCC(C)(C)CO2)cc1

HCID90848721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a5a737a8d5c40af9f61f276a50648e4
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH:63]([CH3:64])[CH3:65])[CH3:66].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2([CH2:17][S:18][CH2:19][C:20](=[O:21])[N:22]3[C:23](=[O:33])[O:24][CH2:25][CH:26]3[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[O:10][CH2:11][C:12]([CH3:15])([CH3:16])[CH2:13][O:14]2)[cH:7][cH:8]1.[CH:67]([OH:68])([CH3:69])[CH3:70].[Cl:71][CH2:72][Cl:73].[F:34][c:35]1[cH:36][cH:37][c:38]([N:41]=[CH:42][c:43]2[cH:44][cH:45][c:46]([O:47][CH2:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:56][cH:57]2)[cH:39][cH:40]1.[OH2:74]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2([CH2:17][S:18][CH:19]([C:20](=[O:21])[N:22]3[C:23](=[O:33])[O:24][CH2:25][CH:26]3[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH:42]([NH:41][c:38]3[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]3)[c:43]3[cH:44][cH:45][c:46]([O:47][CH2:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:56][cH:57]3)[O:10][CH2:11][C:12]([CH3:15])([CH3:16])[CH2:13][O:14]2)[cH:7][cH:8]1