HRID113351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID17124

(2-Chlorophenyl)acetic acid

C8H7ClO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID9943337

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccc1Cl)N1CCC(Cc2cc(O)ccc2Br)CC1

HCID22675321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc649835dca14e6cb4fb8c8a06af3964
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:34][c:35]1[c:36]([CH2:37][CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:44][c:45]([OH:48])[cH:46][cH:47]1.[CH2:13]([N:14]=[C:15]=[N:16][CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[CH3:23].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:1][c:2]1[c:3]([CH2:8][C:9](=[O:10])[OH:11])[cH:4][cH:5][cH:6][cH:7]1.[ClH:12].[OH:24][n:25]1[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[Cl:1][c:2]1[c:3]([CH2:8][C:9](=[O:11])[N:41]2[CH2:40][CH2:39][CH:38]([CH2:37][c:36]3[c:35]([Br:34])[cH:47][cH:46][c:45]([OH:48])[cH:44]3)[CH2:43][CH2:42]2)[cH:4][cH:5][cH:6][cH:7]1