HRID109089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID7525

N-Ethylmorpholine

C6H13NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID22052388

未命名化合物

HCID22052439

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCC2CCN(c3noc(C(Cl)(Cl)Cl)n3)CC2)cc1OCCc1ccc(Cl)cc1Cl

HCID23396231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-576e75573a4645f5b63c04f03e214a9e
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

[CH2:46]([N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1)[CH3:53].[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][O:11][c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][c:20]2[CH3:21])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:54][C:55]([c:56]1[n:57][c:58]([N:61]2[CH2:62][CH2:63][CH:64]([CH2:67][NH2:68])[CH2:65][CH2:66]2)[n:59][o:60]1)([Cl:69])[Cl:70].[F:71][C:72]([F:73])([F:74])[C:75]([OH:76])=[O:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][O:11][c:12]2[cH:13][c:14]([C:15](=[O:17])[NH:68][CH2:67][CH:64]3[CH2:63][CH2:62][N:61]([c:58]4[n:57][c:56]([C:55]([Cl:54])([Cl:69])[Cl:70])[o:60][n:59]4)[CH2:66][CH2:65]3)[cH:18][cH:19][c:20]2[CH3:21])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1