HRID941854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID5311916

2-(Piperidin-3-yl)-1H-benzimidazole

C12H15N3

结构：CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(Br)cc1

HCID53397991

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)Cc1ccc(Br)cc1

HCID77190867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba7539e9bf9d43aa87f9f56642fcd5f8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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