HRID1206912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

PRODUCTS

生成物

结构：Brc1cnc(N2CCc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)nc1

HCID22640324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8695fb484dc54e2484cf3221492a43d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:23][c:24]1[n:25][cH:26][c:27]([Br:30])[cH:28][n:29]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:10]3[N:11]([c:24]4[n:25][cH:26][c:27]([Br:30])[cH:28][n:29]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