HRID1135342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID22293182

1-(Piperidin-4-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

C11H14N4O

HCID57911481

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(c2cccc(F)c2F)CCC1OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

HCID46174776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76060f0073314a309c1167fd5c296172
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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