HRID312118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID53395349

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

C12H13BrO3

结构：COC=C(C(=O)OC)c1ccccc1COn1c(OC(C)C)nc(C(F)(F)F)cc1=O

HCID69903683

未命名化合物

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-c90a37fd313344a7916f8c81a7668373
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:17][O:18][CH:19]=[C:20]([C:21](=[O:22])[O:23][CH3:24])[c:25]1[c:26]([CH2:31][Br:32])[cH:27][cH:28][cH:29][cH:30]1.[CH3:33][O:34][CH:35]=[C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[CH2:43][O:44][n:45]1[c:46](=[O:47])[cH:48][c:49]([C:50]([F:51])([F:52])[F:53])[n:54][c:55]1[O:56][CH:57]([CH3:58])[CH3:59])[C:60]([O:61][CH3:62])=[O:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[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.[OH2:16]>>[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][CH2:31][c:26]2[c:25]([C:20](=[CH:19][O:18][CH3:17])[C:21](=[O:22])[O:23][CH3:24])[cH:30][cH:29][cH:28][cH:27]2)[n:10]1