HRID1541236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24387

Phosphorous trichloride

Cl3P

结构：CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

HCID84391

2,2′-Methylenebis[4,6-bis(1,1-dimethylethyl)phenol]

C29H44O2

PRODUCTS

生成物

结构：CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(Cl)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)C2

HCID12856662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7712a0af2314678a2143c5858d0d1b8
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[c:3]([OH:16])[c:4]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1)[c:17]1[c:18]([OH:31])[c:19]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:20][c:21]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:22]1.[CH3:32][N:33]1[CH2:34][CH2:35][CH2:36][C:37]1=[O:38].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:39][P:40]([Cl:41])[Cl:42]>>[CH2:1]1[c:2]2[c:3]([c:4]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]2)[O:16][P:40]([Cl:39])[O:31][c:18]2[c:17]1[cH:22][c:21]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:20][c:19]2[C:27]([CH3:28])([CH3:29])[CH3:30]