HRID168603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID24290

未命名化合物

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID4935496

未命名化合物

结构：Fc1cccc(COc2ccc(Nc3ncnc4ccc(I)cc34)cc2Cl)c1

HCID10174519

N-{3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-iodoquinazolin-4-amine

C21H14ClFIN3O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID66623782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-558fda97905a44efbfddaa05ab7b515b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:73].[C:54]([CH3:55])([CH3:56])([CH3:57])[O:58][C:59]([NH:60][CH2:61][c:62]1[o:63][cH:64][cH:65][cH:66]1)=[O:67].[CH2:74]([N+:75]([CH2:76][CH2:77][CH2:78][CH3:79])([CH2:80][CH2:81][CH2:82][CH3:83])[CH2:84][CH2:85][CH2:86][CH3:87])[CH2:88][CH2:89][CH3:90].[CH3:50][C:51](=[O:52])[O-:53].[CH:30]1([P:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[Cl:2][c:3]1[cH:4][c:5]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][cH:25][c:26]([I:29])[cH:27][c:28]23)[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[cH:12][c:13]([F:17])[cH:14][cH:15][cH:16]1.[ClH:1].[K+:49].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:91].[Pd:92]([Cl:93])[Cl:94]>>[Cl:2][c:3]1[cH:4][c:5]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][cH:25][c:26](-[c:64]4[o:63][c:62]([CH2:61][NH:60][C:59]([O:58][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:67])[cH:66][cH:65]4)[cH:27][c:28]23)[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[cH:12][c:13]([F:17])[cH:14][cH:15][cH:16]1