HRID106193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID59451392

未命名化合物

HCID68480534

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]c(C(=O)NCCN4CCCC4)cc3Cl)c2F)c1

HCID59451547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-655df731489544d0bd398a59a9b58746
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

[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:88][OH:89].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]([C:17]([O:19][CH3:18])=[O:20])[nH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:6]1.[K+:22].[Li+:24].[NH2:25][CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH-:21].[OH-:23].[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[Cl:1][c:2]1[c:3]([C:17](=[O:19])[NH:25][CH2:26][c:27]2[c:28]([F:44])[c:29]([O:34][c:35]3[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]3)[c:30]([Cl:33])[cH:31][cH:32]2)[nH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:6]1