HRID186313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID2771329

4-Morpholino-3-(trifluoromethyl)aniline

C11H13F3N2O

HCID24822777

6-[[6-(Methylamino)-4-pyrimidinyl]oxy]-1-naphthalenecarboxylic acid

C16H13N3O3

PRODUCTS

生成物

结构：CNc1cc(Oc2ccc3c(C(=O)Nc4ccc(N5CCOCC5)c(C(F)(F)F)c4)cccc3c2)ncn1

HCID67406381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc033a61130e4c1a85fbbc7bd5c79c8a
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

[CH2:47]([P:48]([OH:49])([OH:50])=[O:51])[CH2:52][CH3:53].[CH3:1][NH:2][c:3]1[cH:4][c:5]([O:9][c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][c:16]([C:20](=[O:21])[OH:22])[c:17]3[cH:18][cH:19]2)[n:6][cH:7][n:8]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[O:23]1[CH2:24][CH2:25][N:26]([c:29]2[c:30]([C:36]([F:37])([F:38])[F:39])[cH:31][c:32]([NH2:33])[cH:34][cH:35]2)[CH2:27][CH2:28]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:74]>>[CH3:1][NH:2][c:3]1[cH:4][c:5]([O:9][c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][c:16]([C:20](=[O:21])[NH:33][c:32]4[cH:31][c:30]([C:36]([F:37])([F:38])[F:39])[c:29]([N:26]5[CH2:25][CH2:24][O:23][CH2:28][CH2:27]5)[cH:35][cH:34]4)[c:17]3[cH:18][cH:19]2)[n:6][cH:7][n:8]1