HRID134181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID14517153

2-(Chloromethyl)-5-methoxypyridine

C7H8ClNO

结构：CC(C)c1ccc(N(Cc2cn[nH]c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1

HCID59597432

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(OCc5ccccc5)cccc43)c3ccc(C(C)C)nc3)cn2)nc1

HCID59597344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e808f894fe1c422384a501c39a943e70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]2[c:16]([cH:17][cH:18][cH:19]1)[CH:15]([C:20](=[O:21])[N:22]([CH2:23][c:24]1[cH:25][n:26][nH:27][cH:28]1)[c:29]1[cH:30][n:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]1)[CH2:14][CH2:13][CH2:12]2.[Cl:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([O:46][CH3:47])[cH:44][n:45]1.[ClH:1]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]2[c:16]([cH:17][cH:18][cH:19]1)[CH:15]([C:20](=[O:21])[N:22]([CH2:23][c:24]1[cH:25][n:26][n:27]([CH2:39][c:40]3[cH:41][cH:42][c:43]([O:46][CH3:47])[cH:44][n:45]3)[cH:28]1)[c:29]1[cH:30][n:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]1)[CH2:14][CH2:13][CH2:12]2