HRID695983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC1C=C(C)C(O)C(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID3850

未命名化合物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15540

Benzenesulfonyl chloride, 2-nitro-

C6H4ClNO4S

HCID81531

Diisopropylethylamine

C8H19N

PRODUCTS

生成物

结构：CCC1C=C(C)C(O)C(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C=CC1=O)C(C)CC2OC

HCID56987985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36184b31ff7c473f95da9d265cf6d649
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH2:5][CH:6]([OH:56])[CH:7]([CH3:55])[CH:8]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:52][CH3:53])[CH:48]([OH:51])[CH2:49][CH2:50]2)[CH3:54])[O:9][C:10](=[O:42])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:41])[C:18](=[O:40])[C:19]2([OH:39])[CH:20]([CH3:38])[CH2:21][CH:22]([O:36][CH3:37])[CH:23]([CH:24]([O:33][CH3:34])[CH2:25][CH:26]([CH3:32])[CH:27]([OH:31])[C:28]([CH3:30])=[CH:29]1)[O:35]2.[CH2:89]([Cl:90])[Cl:91].[CH3:80][N:81]([CH3:82])[c:83]1[cH:84][cH:85][n:86][cH:87][cH:88]1.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[N+:67]([c:68]1[cH:69][cH:70][cH:71][cH:72][c:73]1[S:74]([Cl:75])(=[O:76])=[O:77])([O-:78])=[O:79]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH:5]=[CH:6][CH:7]([CH3:55])[CH:8]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:52][CH3:53])[CH:48]([OH:51])[CH2:49][CH2:50]2)[CH3:54])[O:9][C:10](=[O:42])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:41])[C:18](=[O:40])[C:19]2([OH:39])[CH:20]([CH3:38])[CH2:21][CH:22]([O:36][CH3:37])[CH:23]([CH:24]([O:33][CH3:34])[CH2:25][CH:26]([CH3:32])[CH:27]([OH:31])[C:28]([CH3:30])=[CH:29]1)[O:35]2