HRID95631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID60993

2-Aminoethyldiethylamine

C6H16N2

结构：COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)Cl)CC2

HCID21487007

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCNC(=O)N1CCc2cc(OC)c(OC)cc2C1c1ccccc1

HCID21486957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3166196d32a246e297e88c044af8f12c
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

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