HRID2334356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID141917

2-(Bromomethyl)tetrahydro-2H-pyran

C6H11BrO

HCID5230287

6-Chloromethyl-2,3-dihydro-benzo[1,4]dioxine

C9H9ClO2

结构：N#Cc1ccc2c(c1)OCC21C(=O)N(Cc2ccccn2)c2ccccc21

HCID59352415

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc2c(c1)OCC21C(=O)N(Cc2ccc3c(c2)OCCO3)c2ccccc21

HCID59352560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc8f96f2d782400eae145175d263027c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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