HRID940257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

结构：CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1C)c1ccc(C(=O)O)cc1

HCID68156627

未命名化合物

PRODUCTS

生成物

结构：CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1C)c1ccc(C(=O)NCCC(=O)OCC)cc1

HCID68156556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6aa2738276e44618a6d965b67f7a5055
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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