HRID815308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID13821101

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)CCc2cc(Br)ccc2-3)[nH]1

HCID66620994

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)CCc2cc(Br)ccc2-3)[nH]1)C(C)C

HCID66620391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d649c08ad734ba79e0751b4729f91b2
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

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][c:20]4[c:29]([cH:30][cH:31]3)-[c:28]3[c:23]([cH:24][c:25]([Br:32])[cH:26][cH:27]3)[CH2:22][CH2:21]4)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[CH3:34][O:35][C:36](=[O:37])[NH:38][CH:39]([C:40](=[O:41])[OH:42])[CH:43]([CH3:44])[CH3:45].[CH3:79][OH:80].[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[ClH:33].[O:81]1[CH2:82][CH2:83][O:84][CH2:85][CH2:86]1.[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[N:8]1([C:40]([CH:39]([NH:38][C:36]([O:35][CH3:34])=[O:37])[CH:43]([CH3:44])[CH3:45])=[O:41])[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][c:20]4[c:29]([cH:30][cH:31]3)-[c:28]3[c:23]([cH:24][c:25]([Br:32])[cH:26][cH:27]3)[CH2:22][CH2:21]4)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1