HRID309597

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

HCID8857

Ethyl acetate

C4H8O2

HCID74571

4-(Chloromethyl)pyridine

C6H6ClN

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)NCC3

HCID201172

1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline

C18H16N2O2

PRODUCTS

生成物

结构：c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)N(Cc1ccncc1)CC3

HCID22640314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60047267c6d24dcf9a7134be6badf5ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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