HRID807239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4770990

1H-Pyrazol-4-amine, 1-methyl-

C4H7N3

结构：O=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1

HCID66718150

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(NC(=O)c2ccc(OCc3c(-c4ccc(F)cc4)noc3CO)nc2)cn1

HCID46928763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17860dfd9b6e4cbb98271cbd5ee59164
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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