HRID292905

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：Cc1ccc(C2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1

HCID10685309

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(c1ccc(C)cc1)C(C)(C)O3)C2

HCID9911986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b69ff6b2759145c1b4501281f6d83933
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

[CH2:50]([N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[CH3:1][C:2]1([CH3:22])[O:3][c:4]2[c:5]([c:14]([CH3:21])[c:15]([NH2:20])[c:16]([CH3:19])[c:17]2[CH3:18])[CH:6]1[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1.[Cl:23][CH2:24][c:25]1[c:26]([CH2:35][Cl:36])[cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]1.[I-:49].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:43]>>[CH3:1][C:2]1([CH3:22])[O:3][c:4]2[c:5]([c:14]([CH3:21])[c:15]([N:20]3[CH2:24][c:25]4[c:26]([cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]4)[CH2:35]3)[c:16]([CH3:19])[c:17]2[CH3:18])[CH:6]1[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1