HRID206759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1068

Dimethyl sulfide

C2H6S

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

HCID60923

Quiflapon

C34H35ClN2O3S

PRODUCTS

生成物

结构：CC(C)(CO)Cc1c(SC(C)(C)C)c2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1

HCID19379046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c82d9a5566a34824b74cd6e739f33252
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH3:45].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][C:2]([CH3:3])([S:4][c:5]1[c:6]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH3:39])[CH3:40])[n:7]([CH2:26][c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][c:16]3[n:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]3)[cH:12][c:13]12)[CH3:41].[CH3:42][S:43][CH3:44]>>[CH3:1][C:2]([CH3:3])([S:4][c:5]1[c:6]([CH2:34][C:35]([CH2:36][OH:37])([CH3:39])[CH3:40])[n:7]([CH2:26][c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][c:16]3[n:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]3)[cH:12][c:13]12)[CH3:41]