HRID193337

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：Cc1ccc(C2(CSCC(=O)N3C(=O)OCC3c3ccccc3)OCC(C)(C)CO2)cc1

HCID77195456

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：Cc1ccc(C2(CSC(C(=O)N3C(=O)OCC3c3ccccc3)C(Nc3ccc(F)cc3)c3ccc(OCC(=O)OC(C)(C)C)cc3)OCC(C)(C)CO2)cc1

HCID91107550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58a07c5c71ba432da900ab6487f22165
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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