HRID95678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11241777

5-Methoxyindole-3-butyric acid

C13H15NO3

HCID18923874

1-(7-Methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methanamine

C10H13NO3

PRODUCTS

生成物

结构：COc1ccc2c(c1)OC(CNCCCCc1c[nH]c3ccc(OC)cc13)CO2

HCID18923902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ae40a723b8c420d8fa1dc46789c8232
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

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