HRID96237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8617

Indole-3-butyric acid

C12H13NO2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18923874

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

C10H13NO3

PRODUCTS

产物

HCID18923898

[4-(1H-Indol-3-yl)-butyl]-(7-methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)amine

C22H26N2O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3512d75d235d417f86fa5cc4b82275ef
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].[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42]2[c:43]([cH:50]1)[O:44][CH:45]([CH2:48][NH2:49])[CH2:46][O:47]2.[ClH:36].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[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:49][CH2:48][CH:45]2[O:44][c:43]3[c:42]([cH:41][cH:40][c:39]([O:38][CH3:37])[cH:50]3)[O:47][CH2:46]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12