HRID1548868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：Cc1c(C)c2c(c(C)c1N)C(c1ccccc1)C(C)(C)O2

HCID10540798

未命名化合物

HCID10944400

1,2-bis(chloromethyl)-4,5-dimethoxybenzene

C10H12Cl2O2

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CN(c1c(C)c(C)c3c(c1C)C(c1ccccc1)C(C)(C)O3)C2

HCID10181952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3006be09f4764e108c6adecddd7d8440
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[CH3:1][C:2]1([CH3:21])[O:3][c:4]2[c:5]([c:13]([CH3:20])[c:14]([NH2:19])[c:15]([CH3:18])[c:16]2[CH3:17])[CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[Cl:22][CH2:23][c:24]1[c:25]([CH2:34][Cl:35])[cH:26][c:27]([O:32][CH3:33])[c:28]([O:30][CH3:31])[cH:29]1.[I-:48].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42]>>[CH3:1][C:2]1([CH3:21])[O:3][c:4]2[c:5]([c:13]([CH3:20])[c:14]([N:19]3[CH2:23][c:24]4[c:25]([cH:26][c:27]([O:32][CH3:33])[c:28]([O:30][CH3:31])[cH:29]4)[CH2:34]3)[c:15]([CH3:18])[c:16]2[CH3:17])[CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1