HRID1135602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6385

tert-Butylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)OCC2(O)CN(C(=O)c3cscc3Nc3ccc(I)cc3F)C2)c(C(C)C)c1

HCID86621271

Benzenesulfonic acid, 2,4,6-tris(1-methylethyl)-, [1-[[4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl]carbonyl]-3-hydroxy-3-azetidinyl]methyl ester

C30H36FIN2O5S2

PRODUCTS

生成物

结构：CC(C)(C)NCC1(O)CN(C(=O)c2cscc2Nc2ccc(I)cc2F)C1

HCID59469028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70ecfd0d9ccb4e28954180d947a1e460
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][CH:2]([c:3]1[cH:4][c:5]([CH:6]([CH3:7])[CH3:8])[cH:9][c:10]([CH:11]([CH3:12])[CH3:13])[c:14]1[S:15]([O:16][CH2:20][C:21]1([OH:41])[CH2:22][N:23]([C:25](=[O:26])[c:27]2[cH:28][s:29][cH:30][c:31]2[NH:32][c:33]2[c:34]([F:40])[cH:35][c:36]([I:39])[cH:37][cH:38]2)[CH2:24]1)(=[O:17])=[O:18])[CH3:19].[CH3:44][C:45]([CH3:46])([CH3:47])[NH2:48].[H-:42].[Na+:43].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH2:20]([C:21]1([OH:41])[CH2:22][N:23]([C:25](=[O:26])[c:27]2[cH:28][s:29][cH:30][c:31]2[NH:32][c:33]2[c:34]([F:40])[cH:35][c:36]([I:39])[cH:37][cH:38]2)[CH2:24]1)[NH:48][C:45]([CH3:44])([CH3:46])[CH3:47]