HRID683304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID533885

2-(aminomethyl)cyclohexan-1-ol

C7H15NO

结构：O=C(O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)c1

HCID21109721

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CCCCC1O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)c1

HCID21109669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b4a4fef131b48afba9edc3aaf6b5f80
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-:22]([F:23])([F:24])([F:25])[F:26].[CH:1]1([CH2:4][O:5][c:6]2[n:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][c:14]2-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[CH2:2][CH2:3]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:53][CH2:54][CH:55]1[CH:56]([OH:61])[CH2:57][CH2:58][CH2:59][CH2:60]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH:1]1([CH2:4][O:5][c:6]2[n:7][cH:8][c:9]([C:10](=[O:12])[NH:53][CH2:54][CH:55]3[CH:56]([OH:61])[CH2:57][CH2:58][CH2:59][CH2:60]3)[cH:13][c:14]2-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[CH2:2][CH2:3]1