HRID1118003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11807

2-Amino-2-methylpropan-1-ol

C4H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：O=C(O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2CO)nc1

HCID66718132

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(CO)NC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2CO)nc1

HCID46928863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dd6fb426bca94d138d46dd791aa90590
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

[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[cH:6][cH:7]1.[ClH:52].[NH2:26][C:27]([CH2:28][OH:29])([CH3:30])[CH3:31].[OH2:32].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[NH:26][C:27]([CH2:28][OH:29])([CH3:30])[CH3:31])[cH:22][cH:23]2)[cH:6][cH:7]1