HRID2325759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1

HCID46313701

2,6-Bis(4-fluorophenyl)-4-pyridinecarboxylic acid

C18H11F2NO2

结构：O=C1CC2(CCNCC2)Oc2ccc(-c3nnn[nH]3)cc21

HCID178515376

未命名化合物

PRODUCTS

生成物

结构：O=C1CC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)c3)CC2)Oc2ccc(-c3nnn[nH]3)cc21

HCID178515381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60a57358823c4132a9c8714160cda77f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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