HRID121690

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

HCID8617

Indole-3-butyric acid

C12H13NO2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID15053

2-Aminomethyl-1,4-benzodioxane

C9H11NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

PRODUCTS

生成物

结构：c1ccc2c(c1)OCC(CNCCCCc1c[nH]c3ccccc13)O2

HCID18923886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9ac6a02d6dc464da18c133931c2f3db
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

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