HRID170411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID88098

N-Isopropylethylenediamine

C5H14N2

结构：CCN(CC)CCNC(=O)C=CC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1

HCID178464066

未命名化合物

PRODUCTS

生成物

结构：CC(C)NCCNC(=O)C=CC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1

HCID178457402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86cd7e4f975345799328eb4e22cdac97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([N:2]([CH2:3][CH3:4])[CH2:5][CH2:6][NH:35][C:7]([CH:8]=[CH:9][CH:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[NH:18][C:19](=[O:20])[NH:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:26][cH:27]1)=[O:34])[CH3:36].[CH:37]([CH3:38])([CH3:39])[NH:40][CH2:41][CH2:42][NH2:43].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[C:7]([CH:8]=[CH:9][CH:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[NH:18][C:19](=[O:20])[NH:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:26][cH:27]1)(=[O:34])[NH:43][CH2:42][CH2:41][NH:40][CH:37]([CH3:38])[CH3:39]