HRID1143407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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+

HCID13821101

未命名化合物

结构：CC1(C)OB(c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)OC1(C)C

HCID66620498

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1)C(C)C

HCID66619939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ee955098cff4f3fabc3902eab43bcd3
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

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