HRID194853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736899

Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

C7H8ClNO4S

结构：CC(C)(C)c1cc(SC2CCNCC2)cc(C(C)(C)C)c1O

HCID86635428

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(S(=O)(=O)N2CCC(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)n1C

HCID86635430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb2790d9984141feb21d22949915a104
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:22])[c:7]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:8][c:9]([S:11][CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:10]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:32][O:33][C:34](=[O:35])[c:36]1[n:37]([CH3:45])[c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[OH2:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:22])[c:7]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:8][c:9]([S:11][CH:12]2[CH2:13][CH2:14][N:15]([S:41]([c:38]3[n:37]([CH3:45])[c:36]([C:34]([O:33][CH3:32])=[O:35])[cH:40][cH:39]3)(=[O:42])=[O:43])[CH2:16][CH2:17]2)[cH:10]1