HRID2331184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2723799

未命名化合物

HCID3857528

2-Isobutoxy-benzaldehyde

C11H14O2

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID17816513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6232598a3874978aeb0eec587cacf03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:31]([Li:32])[CH2:33][CH2:34][CH3:35].[CH2:36]([CH:37]([CH3:38])[CH3:39])[O:40][c:41]1[c:42]([CH:43]=[O:44])[cH:45][cH:46][cH:47][cH:48]1.[CH3:2][O:3][CH2:4][P+:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH:24]([NH:25][CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl-:1].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[O:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[OH2:65].[S:49](=[O:50])(=[O:51])([OH:52])[OH:53]>>[CH:2](=[O:3])[CH2:43][c:42]1[c:41]([O:40][CH2:36][CH:37]([CH3:38])[CH3:39])[cH:48][cH:47][cH:46][cH:45]1