HRID186006

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

HCID55049154

未命名化合物

HCID66591947

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCC(Oc2ccccc2Br)CC1)Nc1ccc(-c2ccccc2)cc1

HCID57874382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-295d983a0d8d4b72b8372e8525efa46f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:58][c:59]1[c:60]([O:61][CH:62]2[CH2:63][CH2:64][N:65]([NH2:68])[CH2:66][CH2:67]2)[cH:69][cH:70][cH:71][cH:72]1.[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[ClH:50].[F:51][C:52]([F:53])([F:54])[C:55]([OH:56])=[O:57].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[OH:20][n:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29]1.[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([NH:7][C:8]([CH2:9][C:10](=[O:11])[OH:12])=[O: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]([NH:7][C:8]([CH2:9][C:10](=[O:12])[N:65]2[CH2:64][CH2:63][CH:62]([O:61][c:60]3[c:59]([Br:58])[cH:72][cH:71][cH:70][cH:69]3)[CH2:67][CH2:66]2)=[O:13])[cH:5][cH:6]1