HRID2329291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

PRODUCTS

生成物

结构：COCOC1CC2=CC=C3C4CCC(C(C)C(CC(O)C(C)(C)OC5CCCCO5)S(=O)(=O)c5ccc(C)cc5)C4(C)CCC3C2(C)C(OCOC)C1

HCID178496895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b75034accfe74213a3027756adfd7b09
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

[CH3:1][CH:2]([CH2:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1)[CH:14]1[CH2:15][CH2:16][CH:17]2[C:18]3=[CH:19][CH:20]=[C:21]4[CH2:22][CH:23]([O:37][CH2:38][O:39][CH3:40])[CH2:24][CH:25]([O:33][CH2:34][O:35][CH3:36])[C:26]4([CH3:27])[CH:28]3[CH2:29][CH2:30][C:31]12[CH3:32].[CH3:81][CH2:82][O:83][CH2:84][CH3:85].[CH3:86][CH2:87][CH2:88][CH2:89][CH2:90][CH3:91].[CH:41]([N-:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[CH:54]([NH:55][CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl-:74].[Li+:48].[Li:49][CH2:50][CH2:51][CH2:52][CH3:53].[NH4+:75].[O:61]1[CH2:62][CH:63]1[C:64]([CH3:65])([O:66][CH:67]1[O:68][CH2:69][CH2:70][CH2:71][CH2:72]1)[CH3:73].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1>>[CH3:1][CH:2]([CH:3]([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1)[CH2:62][CH:63]([OH:61])[C:64]([CH3:65])([O:66][CH:67]1[O:68][CH2:69][CH2:70][CH2:71][CH2:72]1)[CH3:73])[CH:14]1[CH2:15][CH2:16][CH:17]2[C:18]3=[CH:19][CH:20]=[C:21]4[CH2:22][CH:23]([O:37][CH2:38][O:39][CH3:40])[CH2:24][CH:25]([O:33][CH2:34][O:35][CH3:36])[C:26]4([CH3:27])[CH:28]3[CH2:29][CH2:30][C:31]12[CH3:32]