HRID190046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8900

Heptane

C7H16

HCID9886

Hexafluorophosphate ion

F6P-

HCID61778

Bisulfate anion

HO4S-

HCID4641409

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

C10H15N6O+

HCID66782700

未命名化合物

结构：CC1C(=O)N(CCC(=O)O)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1

HCID67074978

未命名化合物

PRODUCTS

生成物

结构：CC1C(=O)N(CCC(=O)N2CCC3(CC3)C(O)C2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1

HCID77223854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-548ae3421b5c448f9bdd60cf32c34eb5
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

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