HRID2329852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6456

Trityl chloride

C19H15Cl

HCID8471

Triethylamine

C6H15N

HCID21266197

未命名化合物

PRODUCTS

生成物

结构：N#CCC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1F

HCID178511161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62c0161ce0ec48ccaea8c348b835a7a3
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

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