HRID1574003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

结构：O=C(O)c1ccc2c(c1)-c1sc(-c3ncnn3-c3ccc(F)cc3F)cc1CCO2

HCID57900260

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCO)c1ccc2c(c1)-c1sc(-c3ncnn3-c3ccc(F)cc3F)cc1CCO2

HCID57900164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7fe81471d1e4a849bea2b1da38a7ed2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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