HRID294129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID12249

1-Propanamine, N,2-dimethyl-

C5H13N

结构：O=S(=O)(Cl)c1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)ccn2)c1

HCID60209345

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C)S(=O)(=O)c1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)ccn2)c1

HCID57469088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f4a03955fbe4313997cb193cf6d501a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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