HRID1128576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID4641409

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

C10H15N6O+

HCID15475284

N-Cyclopropylcyclopropanamine

C6H11N

结构：CCn1c(C(=O)O)cc2c3c(ncn3C)c(N(Cc3ccc(OC)cc3OC)C(=O)OC(C)(C)C)nc21

HCID58180615

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(N(Cc3ccc(OC)cc3OC)C(=O)OC(C)(C)C)nc21

HCID58180545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba825bcf37d543fc95c3775903252c7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10]2[c:11]([c:12]3[c:13]([n:14]1)[n:15]([CH2:21][CH3:22])[c:16]([C:18](=[O:19])[OH:20])[cH:17]3)[n:23]([CH3:26])[cH:24][n:25]2)[CH2:27][c:28]1[c:29]([O:36][CH3:37])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1.[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[CH3:77][C:78]#[N:79].[CH3:80][N:81]([c:82]1[cH:83][cH:84][n:85][cH:86][cH:87]1)[CH3:88].[CH:39]1([NH:42][CH:43]2[CH2:44][CH2:45]2)[CH2:40][CH2:41]1.[ClH:38].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10]2[c:11]([c:12]3[c:13]([n:14]1)[n:15]([CH2:21][CH3:22])[c:16]([C:18](=[O:20])[N:42]([CH:39]1[CH2:40][CH2:41]1)[CH:43]1[CH2:44][CH2:45]1)[cH:17]3)[n:23]([CH3:26])[cH:24][n:25]2)[CH2:27][c:28]1[c:29]([O:36][CH3:37])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1