HRID107113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6385

tert-Butylamine

C4H11N

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1

HCID11280358

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1

HCID54231088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c246ca9280ac4c54964022efe7e69ded
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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