HRID104361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID145108

3-Ethoxy-4-methoxyphenethylamine

C11H17NO2

HCID4641409

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

C10H15N6O+

结构：CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)n3CC(=O)O)cc21

HCID12044965

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CCNC(=O)Cn2c(C#N)ccc2-c2ccc3c(c2)C(C)(C)OC(=O)N3)ccc1OC

HCID12044966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39bec7a1647c45c7b96b83a81dadb3ba
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

[C:1](#[N:2])[c:3]1[n:4]([CH2:21][C:22](=[O:23])[OH:24])[c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:20]2)[C:13]([CH3:18])([CH3:19])[O:14][C:15](=[O:17])[NH:16]3)[cH:6][cH:7]1.[CH2:25]([CH3:26])[O:27][c:28]1[cH:29][c:30]([CH2:36][CH2:37][NH2:38])[cH:31][cH:32][c:33]1[O:34][CH3:35].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[OH2:77].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[C:1](#[N:2])[c:3]1[n:4]([CH2:21][C:22](=[O:23])[NH:38][CH2:37][CH2:36][c:30]2[cH:29][c:28]([O:27][CH2:25][CH3:26])[c:33]([O:34][CH3:35])[cH:32][cH:31]2)[c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:20]2)[C:13]([CH3:18])([CH3:19])[O:14][C:15](=[O:17])[NH:16]3)[cH:6][cH:7]1