HRID299813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

结构：CC(C)(C)c1nc2cc(S(=O)(=O)Cl)ccc2n1CC1CCC(F)(F)CC1

HCID57937294

未命名化合物

HCID178521707

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc2cc(S(=O)(=O)N3CCOC(C(=O)NC4CC4)C3)ccc2n1CC1CCC(F)(F)CC1

HCID23658943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91babbe6b4e04adcaf34cd6123818c4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][C:14]([F:17])([F:18])[CH2:15][CH2:16]1)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[Cl:26])[cH:22]2.[CH:34]1([NH:37][C:38](=[O:39])[CH:40]2[O:41][CH2:42][CH2:43][NH2+:44][CH2:45]2)[CH2:35][CH2:36]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[F:27][C:28]([F:29])([F:30])[C:31]([O-:32])=[O:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][C:14]([F:17])([F:18])[CH2:15][CH2:16]1)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[N:44]1[CH2:43][CH2:42][O:41][CH:40]([C:38]([NH:37][CH:34]3[CH2:35][CH2:36]3)=[O:39])[CH2:45]1)[cH:22]2