HRID321592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID589711

未命名化合物

HCID5462222

Potassium

结构：CC(C)(Cc1[nH]c2cc(OCc3ccc4ccccc4n3)ccc2c1Cc1ccc(Cl)cc1)C(=O)O

HCID18947603

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1c(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc2n1S(=O)(=O)c1ccccc1)C(=O)O

HCID18947533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fe1324f446b4f7abc5b846dfd2195a9
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

[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:37][SiH:38]([CH3:39])[N:40]([CH3:41])[Si:42]([CH3:43])([CH3:44])[CH3:45].[CH3:62][N:63]([CH3:64])[P:65]([N:66]([CH3:67])[CH3:68])([N:69]([CH3:70])[CH3:71])=[O:72].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[c:8]([CH2:28][C:29]([C:30](=[O:31])[OH:32])([CH3:33])[CH3:34])[nH:9][c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:35][cH:36]1.[K:46].[c:47]1([S:53](=[O:54])(=[O:55])[Cl:56])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[c:8]([CH2:28][C:29]([C:30](=[O:31])[OH:32])([CH3:33])[CH3:34])[n:9]([S:53]([c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)(=[O:54])=[O:55])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:35][cH:36]1