HRID149380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID10614

Benzhydrylbenzene

C19H16

HCID12533762

未命名化合物

PRODUCTS

产物

HCID12533763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a59278b0ca9441a09e2dae5f41044a54
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

[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:18][cH:19][cH:20][cH:21]2)[CH:10]([CH3:17])[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[CH3:46][I:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:22]1[CH2:23][CH2:26][CH2:25][CH2:24]1.[OH2:55].[c:27]1([CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:18][cH:19][cH:20][cH:21]2)[CH:10]([CH3:17])[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)[CH3:23]