HRID1546007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(N=C(c3ccccc3)c3ccccc3)ccc21

HCID86616066

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(N)ccc21

HCID59003104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41b9b31a2c22407a805d1ecf9b02a71d
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

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