HRID177593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID356

Octane

C8H18

HCID402

Hydrogen sulfide

H2S

HCID962

Water

H2O

HCID31215

Triethyl phosphite

C6H15O3P

HCID53395349

Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

C12H13BrO3

HCID178458952

未命名化合物

PRODUCTS

生成物

结构：COC=C(C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)nc(OC(C)C)n1

HCID53395020

Methyl 3-methoxy-2-{2-[({2-[(propan-2-yl)oxy]-6-(trifluoromethyl)pyrimidin-4-yl}oxy)methyl]phenyl}prop-2-enoate

C20H21F3N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8df28daf3fd4cd782ff5e8c5090b7db
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

[CH3:26][O:27][CH:28]=[C:29]([C:30](=[O:31])[O:32][CH3:33])[c:34]1[c:35]([CH2:40][Br:41])[cH:36][cH:37][cH:38][cH:39]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[n:6][c:7]([C:12]([F:13])([F:14])[F:15])[cH:8][c:9]([OH:11])[n:10]1.[OH2:51].[P:16]([O:17][CH2:18][CH3:19])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25].[SH2:42]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[n:6][c:7]([C:12]([F:13])([F:14])[F:15])[cH:8][c:9]([O:11][CH2:40][c:35]2[c:34]([C:29](=[CH:28][O:27][CH3:26])[C:30](=[O:31])[O:32][CH3:33])[cH:39][cH:38][cH:37][cH:36]2)[n:10]1