HRID148402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)Cn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1

HCID67014383

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1)N1CCOCC1

HCID68445705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-140ed197bf01492c8228240120c0b689
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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