HRID1541543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

结构：O=C(O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1

HCID59361988

2-[3-[4-(1H-Indazol-5-ylamino)-2-quinazolinyl]phenoxy]acetic acid

C23H17N5O3

PRODUCTS

生成物

结构：CN1CCN(C(=O)COc2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1

HCID11950338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f1f9f0c0d184d58bf89f760e6e8716e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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