HRID205982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID22709417

2-Hydroxy-4,4-dimethylpentanoic acid

C7H14O3

结构：Cc1ccc2c(N3CCNCC3)nc(-c3ccccc3O)nc2c1

HCID136134616

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(N3CCN(C(=O)C(O)CC(C)(C)C)CC3)nc(-c3ccccc3O)nc2c1

HCID136366837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb4ab1fae21e48cfbd9961652515d2c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:25][CH:26]([C:27](=[O:28])[OH:29])[CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34].[P-:42]([F: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>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][N:22]([C:27]([CH:26]([OH:25])[CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:28])[CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1