HRID290440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

结构：COC(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n2C1

HCID59837558

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C=C(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

HCID57712202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efc34cd98522447490d33ee0f064f5e5
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

[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:64][C:65](=[O:66])[O-:67].[CH3:73][OH:74].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[CH:18]=[C:19]([C:21](=[O:22])[O:23][CH3:24])[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:56].[NH4+:63].[Na+:62].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH-:38].[P:57]([O-:58])([OH:59])([OH:60])=[O:61]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[CH:18]=[C:19]([C:21](=[O:22])[OH:23])[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1