HRID1543604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID262943

[(biphenyl-4-carbonyl)-amino]-acetic acid

C15H13NO3

HCID16731694

4-(2-Bromophenoxy)piperidine

C11H14BrNO

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2ccccc2Br)CC1)c1ccc(-c2ccccc2)cc1

HCID44235271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fbf0128177b45048809a8c63581559d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:58][c:59]1[c:60]([O:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:68][cH:69][cH:70][cH:71]1.[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:50].[F:51][C:52]([F:53])([F:54])[C:55]([OH:56])=[O:57].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1.[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:12])[OH:13])[cH:5][cH:6]1>>[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:13])[N:65]2[CH2:64][CH2:63][CH:62]([O:61][c:60]3[c:59]([Br:58])[cH:71][cH:70][cH:69][cH:68]3)[CH2:67][CH2:66]2)[cH:5][cH:6]1