HRID2136440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7519

Anisole

C7H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24648

Sulfuryl chloride

Cl2O2S

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CNCCN3c3ccc(F)cc3C)CC2)c1

HCID44474093

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C)C(C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)c1

HCID25188663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7749ac1a8094022b8221ede9d0053c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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