HRID204322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID86635428

未命名化合物

结构：CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCC(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c1C

HCID86635429

未命名化合物

HCID87243573

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1csc(S(=O)(=O)N2CCC(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)n1

HCID86635437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e24ad05c4d0b42d29acbabd70939b57d
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.[CH2:37]([O:38][C:39]([c:40]1[nH:41][c:42]([CH3:43])[c:44]([S:45]([N:46]2[CH2:47][CH2:48][CH:49]([S:50][c:51]3[cH:52][c:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[c:58]([OH:59])[c:60]([C:61]([CH3:62])([CH3:63])[CH3:64])[cH:65]3)[CH2:66][CH2:67]2)(=[O:68])=[O:69])[c:70]1[CH3:71])=[O:72])[CH3:73].[Cl:23][S:24](=[O:25])(=[O:26])[c:27]1[s:28][cH:29][c:30]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:31]1>>[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:24](=[O:25])(=[O:26])[c:27]3[s:28][cH:29][c:30]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:31]3)[CH2:16][CH2:17]2)[cH:10]1