HRID692292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID26255

Tetrafluoroborate

BF4-

HCID31374

Dimethylacetamide

C4H9NO

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

HCID25131906

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccc(F)cc2)CC1

HCID59833503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51d9bcdb319d4b379b926c9242fa4af9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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