HRID2147055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID121025

Pyrazole-5-carboxylic acid, 3-phenyl-

C10H8N2O2

HCID130500

未命名化合物

HCID58315596

tert-Butyl 2-(4-aminophenyl)morpholine-4-carboxylate

C15H22N2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)C1

HCID178452440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9cdd0b0da734e8ea0a9ccb765b6cf60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[O:9][CH2:10][CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]2)[cH:6][cH:7]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:66].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[c:21]1(-[c:27]2[n:28][nH:29][c:30]([C:32](=[O:33])[OH:34])[cH:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1.[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[O:9][CH2:10][CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]2)[cH:6][cH:7]1)[C:32]([c:30]1[n:29][nH:28][c:27](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:31]1)=[O:33]