HRID2123926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID949

N,N-Dimethylaniline

C8H11N

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6581

Acrylic acid

C3H4O2

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID31275

1,4-Dioxane

C4H8O2

HCID67067011

未命名化合物

PRODUCTS

生成物

HCID67067021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28071ea4aa6f41f4b0373aca059bd14b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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