HRID156075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10457

Octanedioic acid

C8H14O4

结构：CC(C)N(CCC(c1ccccc1)c1cc(CO)ccc1O)C(C)C

HCID9927971

2-{3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenol

C22H31NO2

结构：C=CCCC(=O)OCc1ccc(OC(=O)CCC=C)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1

HCID17874072

(+/-)-Pent-4-enoic acid 2-(3-diisopropylamino-1-phenylpropyl)-4-(pent-4-enoyloxymethyl)phenyl ester

C32H43NO4

PRODUCTS

生成物

HCID84313

Oct-4-enedioic acid

C8H12O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86ea314e1cb54c8e98f89e890b7eb35e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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