HRID1204049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID19066062

2-Bromo-4-methylpyridine-3-carboxylic acid

C7H6BrNO2

结构：COc1ccc(N(Cc2cnccc2C)C2CCN(C(C)CCN)CC2)cc1

HCID68969325

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(Cc2cnccc2C)C2CCN(C(C)CCNC(=O)c3c(C)ccnc3Br)CC2)cc1

HCID75037767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d76668ab1154637862d6c417104d617
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:50][c:51]1[c:52]([C:53](=[O:54])[OH:55])[c:56]([CH3:60])[cH:57][cH:58][n:59]1.[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[NH2:1][CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([CH2:13][c:14]2[cH:15][n:16][cH:17][cH:18][c:19]2[CH3:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH2:10][CH2:11]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[NH:1]([CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([CH2:13][c:14]2[cH:15][n:16][cH:17][cH:18][c:19]2[CH3:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH2:10][CH2:11]1)[C:53]([c:52]1[c:51]([Br:50])[n:59][cH:58][cH:57][c:56]1[CH3:60])=[O:54]