HRID825274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID123618

Tecastemizole

C19H21FN4

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

HCID15840899

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

HCID9875418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703c31eec13b4e3facae1b69a129644c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32].[CH3:68][C:69]#[N:70].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[F:35][c:36]1[cH:37][cH:38][c:39]([CH2:40][n:41]2[c:42]([NH:50][CH:51]3[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]3)[n:43][c:44]3[c:45]2[cH:46][cH:47][cH:48][cH:49]3)[cH:57][cH:58]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:54]3[CH2:53][CH2:52][CH:51]([NH:50][c:42]4[n:41]([CH2:40][c:39]5[cH:38][cH:37][c:36]([F:35])[cH:58][cH:57]5)[c:45]5[c:44]([n:43]4)[cH:49][cH:48][cH:47][cH:46]5)[CH2:56][CH2:55]3)([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32]