HRID1210565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID127

(4-Hydroxyphenyl)acetic acid

C8H8O3

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID11276288

1-(2-PYRROLIDIN-1-YL-ETHYL)-1H-INDAZOL-6-YLAMINE

C13H18N4

PRODUCTS

生成物

结构：O=C(Cc1ccc(O)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1

HCID22036603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acb51645152045d181864394c218372f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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