HRID162840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

结构：NC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1

HCID67092302

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1

HCID66652833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d924467d5d3461b9b25c2a68ec854ae
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

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