HRID86501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2724436

4-(Bis(4-fluorophenyl)methylene)piperidine

C18H17F2N

HCID4641409

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

C10H15N6O+

结构：O=C(O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O

HCID67359280

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID67358928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0b8be07b1e24124ba9fcc901bec8c69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:79]([Cl:80])[Cl:81].[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[ClH:24].[F:25][c:26]1[cH:27][cH:28][c:29]([C:32](=[C:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]2)[cH:30][cH:31]1.[O:1]=[C:2]1[N:3]([CH2:20][C:21](=[O:22])[OH:23])[CH2:4][CH2:5][CH2:6][C:7]1([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]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>>[O:1]=[C:2]1[N:3]([CH2:20][C:21](=[O:22])[N:36]2[CH2:35][CH2:34][C:33](=[C:32]([c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)[c:39]3[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]3)[CH2:38][CH2:37]2)[CH2:4][CH2:5][CH2:6][C:7]1([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1