HRID941003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

HCID4641409

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

C10H15N6O+

结构：Cc1cc(OC(c2ccc(C(=O)O)cc2)C2CC(C)(C)C2)cc(C)c1-n1cc(C(F)(F)F)cn1

HCID68156518

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)c1ccc(C(Oc2cc(C)c(-n3cc(C(F)(F)F)cn3)c(C)c2)C2CC(C)(C)C2)cc1

HCID68157872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fa7e900b01f456aa2b7dd07750f8804
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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