HRID1548669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8300

2-Methoxyprop-1-ene

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24813

Phosphoric trichloride

Cl3OP

HCID166653

Hydride

H-

2 次

结构：CC(C)N(CC(O)COc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O

HCID12952554

未命名化合物

HCID18764105

未命名化合物

PRODUCTS

生成物

HCID93699

1-[4-(Benzyloxy)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol

C19H25NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a2ff191886e4d6895dbb5808ef6b715
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

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