HRID1212535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14232

N-Methoxymethylamine

C2H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：CC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(C(=O)O)cc1

HCID69156310

未命名化合物

PRODUCTS

产物

反应SMILES：CON(C)C(=O)c1ccc(Cn2c(C(C)=O)c(-c3ccccc3)c3cc(Br)ccc3c2=O)cc1

HCID86599566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3b83c4e9b4ca45bda58086448f105d53
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

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