HRID1237947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID12327020

未命名化合物

HCID14424857

1-Methyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid

C9H8N2O3

结构：O=C(c1ccc2[nH]cnc2c1)N1CCCC2c3ccccc3CCC21

HCID178519346

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)[nH]c2cc(C(=O)N3CCCC4c5ccccc5CCC43)ccc21

HCID67223432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc8efe29c8e4ca48964c480c2ec2f3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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