HRID1114649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8900

Heptane

C7H16

HCID43456062

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cn(-c2cc(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)n2)cn1

HCID57468833

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)sc1S(=O)(=O)NC(C)(C)C

HCID60209469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f85bb6d464be4620b2929a952d6ff894
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[NH:43][S:44](=[O:45])(=[O:46])[c:47]1[c:48]([CH3:53])[n:49][c:50]([Cl:52])[s:51]1.[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:31])([c:6]1[n:7][cH:8][n:9](-[c:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[cH:10]1)[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[c:6]1(-[c:50]2[n:49][c:48]([CH3:53])[c:47]([S:44]([NH:43][C:39]([CH3:40])([CH3:41])[CH3:42])(=[O:45])=[O:46])[s:51]2)[n:7][cH:8][n:9](-[c:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[cH:10]1