HRID676169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5360545

Sodium

结构：CC(C)(C)OC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1C(=O)O

HCID18713219

未命名化合物

HCID22662909

2-[2-(1H-Imidazol-1-yl)ethyl]piperidine

C10H17N3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1C(=O)N1CCCCC1CCn1ccnc1

HCID22662869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-014042dd5cbc417b801b7c620bb5b9d1
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[CH:8]([N:18]1[CH2:19][CH:20]([C:31](=[O:32])[OH:33])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]1)[c:9]1[c:10]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:11][CH2:12]2.[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:70][N:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[ClH:48].[Na:34].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:60][n:61]1[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1.[n:35]1([CH2:40][CH2:41][CH:42]2[NH:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[cH:36][n:37][cH:38][cH:39]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[CH:8]([N:18]1[CH2:19][CH:20]([C:31](=[O:32])[N:43]3[CH:42]([CH2:41][CH2:40][n:35]4[cH:36][n:37][cH:38][cH:39]4)[CH2:47][CH2:46][CH2:45][CH2:44]3)[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]1)[c:9]1[c:10]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:11][CH2:12]2