HRID149491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15540

Benzenesulfonyl chloride, 2-nitro-

C6H4ClNO4S

HCID81531

Diisopropylethylamine

C8H19N

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

HCID57203845

未命名化合物

PRODUCTS

生成物

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(S(=O)(=O)c4ccccc4[N+](=O)[O-])C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID57060669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-062350f6f2be435b89c334d530cbb22d
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

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