HRID677877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID43455771

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cn(-c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cn1

HCID57468826

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1cnc(-c2cn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)cn2)s1

HCID57468927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52104859dd764c5dbd0b90ca51d1ef6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:36]([CH3:37])([CH3:38])([CH3:39])[NH:40][S:41](=[O:42])(=[O:43])[c:44]1[cH:45][n:46][c:47]([Cl:49])[s:48]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[n:18]3[cH:19][n:20][c:21]([Sn:23]([CH2:24][CH2:25][CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:32][CH2:33][CH2:34][CH3:35])[cH:22]3)[n:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[cH:6][cH:7]1.[F-:50].[K+:51].[OH2:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[n:18]3[cH:19][n:20][c:21](-[c:47]4[n:46][cH:45][c:44]([S:41]([NH:40][C:36]([CH3:37])([CH3:38])[CH3:39])(=[O:42])=[O:43])[s:48]4)[cH:22]3)[n:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[cH:6][cH:7]1