HRID1230352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

结构：CC(C)(C)OC(=O)N1CCCC1(Cc1ccc(Br)cc1)C(=O)O

HCID4279827

1-Boc-2-(4-bromobenzyl)-2-pyrrolidinecarboxylic acid

C17H22BrNO4

HCID55289824

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)CC(O)CNC(=O)C1(Cc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C

HCID66705859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1549da0edb6c4211837fa25c098a24e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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