HRID2328428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID166653

Hydride

H-

HCID16686348

未命名化合物

反应SMILES：CC(=O)Oc1c(C(C)(C)C)cc2c(c1C(C)(C)C)CC(C)(COc1ccc(N)cc1)O2

HCID23288021

未命名化合物

PRODUCTS

产物

反应SMILES：CC1(COc2ccc(N)cc2)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1

HCID15485732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-673bdd62b34e48c8b8a522a921c08519
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

[C:1](=[O:2])([CH3:3])[O:4][c:5]1[c:6]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:7][c:8]2[c:9]([c:23]1[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:10][C:11]([CH3:13])([CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]1)[O:12]2.[CH2:33]([Al+:34][CH2:35][CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl-:42].[H-:32].[NH4+:43]>>[OH:4][c:5]1[c:6]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:7][c:8]2[c:9]([c:23]1[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:10][C:11]([CH3:13])([CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]1)[O:12]2