HRID1113856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID16495028

未命名化合物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)O)cc3)c(C#N)cc21

HCID46221108

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(CN(C)C)cc4)cc3)c(C#N)cc21

HCID67080472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-157443bf990345379323e5064aae8a72
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](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26].[CH3:29][N:30]([CH3:31])[CH2:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][CH2:40][NH2:41])[cH:37][cH:38]1.[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[ClH:27].[ClH:28].[F:42][P-:43]([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[NH:41][CH2:40][CH2:39][c:36]3[cH:35][cH:34][c:33]([CH2:32][N:30]([CH3:29])[CH3:31])[cH:38][cH:37]3)[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26]