HRID102653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

结构：COC(=O)CCc1ccc(NCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

HCID69469495

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(N(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C(=O)OC)cc1C

HCID69475913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf8d1e3bfbbe4df3b8aea9938cd573df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:30])[cH:8][c:9]([NH:12][CH2:13][c:14]2[c:15]([CH3:29])[n:16][c:17](-[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[s:18]2)[cH:10][cH:11]1)=[O:31].[Cl:38][C:39](=[O:40])[O:41][CH3:42].[Cl:44][CH2:45][Cl:46].[OH2:43].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:30])[cH:8][c:9]([N:12]([CH2:13][c:14]2[c:15]([CH3:29])[n:16][c:17](-[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[s:18]2)[C:39](=[O:40])[O:41][CH3:42])[cH:10][cH:11]1)=[O:31]