HRID90289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

HCID15550486

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID15550487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bf0b573284d846178e176b3df99db115
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:35]([OH:36])([CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][C:14]3([OH:20])[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:10][c:11]12.[Cl:40][CH2:41][CH2:42][Cl:43].[Cl:44][CH2:45][Cl:46].[O:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:28]1[cH:29][cH:30][c:31]([NH2:32])[cH:33][cH:34]1>>[ClH:1].[c:2]1([NH:32][c:31]2[cH:30][cH:29][c:28]([O:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:34][cH:33]2)[n:3][cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][C:14]3([OH:20])[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:10][c:11]12