HRID1132037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2735636

4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid

C11H16N2O4

PRODUCTS

生成物

结构：Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21

HCID2755987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b701e7a8c25a46f88c0e74b2d0f14a27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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