HRID1234757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID11101094

2,4-NH2PYRIMIDINE,5(3,4MEO-5-I)BENZYL

C13H15IN4O2

结构：C=Cc1c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c2c1F

HCID15636884

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C2CC2)c2c(F)c(C=Cc3cc(Cc4cnc(N)nc4N)cc(OC)c3OC)c(F)cc2c1=O

HCID54072345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7d77bf3c77f437586812e433dd409bb
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

[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][c:7]2[c:8]([NH2:14])[n:9][c:10]([NH2:13])[n:11][cH:12]2)[cH:15][c:16]([I:20])[c:17]1[O:18][CH3:19].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:21]1([n:24]2[cH:25][c:26]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[c:27](=[O:38])[c:28]3[cH:29][c:30]([F:37])[c:31]([CH:35]=[CH2:36])[c:32]([F:34])[c:33]23)[CH2:22][CH2:23]1.[OH2:84].[Pd+2:79].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][c:7]2[c:8]([NH2:14])[n:9][c:10]([NH2:13])[n:11][cH:12]2)[cH:15][c:16]([CH:36]=[CH:35][c:31]2[c:30]([F:37])[cH:29][c:28]3[c:27](=[O:38])[c:26]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:25][n:24]([CH:21]4[CH2:22][CH2:23]4)[c:33]3[c:32]2[F:34])[c:17]1[O:18][CH3:19]