HRID1550029

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

HCID4769782

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid

C13H18N2O2

HCID59804324

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)CC(=O)N5)c3)cc2)CC1

HCID59804373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d7dca00a6f743e9b342ad9840d19902
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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