HRID198708

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

HCID118342

(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid

C9H7F3O2

HCID4641409

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

C10H15N6O+

HCID46835560

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(C2CCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1

HCID68813692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dd0f1e7dd7845cb850a4570f629b490
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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