HRID1139364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11456

m-Bromobenzoic acid

C7H5BrO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)C(N)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

HCID67092498

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)c1cccc(Br)c1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

HCID67299923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d0dfc009734d8098c81a029947879d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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