HRID693273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID402

Hydrogen sulfide

H2S

HCID962

Water

H2O

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID81363

1-Chloro-3-iodopropane

C3H6ClI

HCID11230745

1,1-Dimethylethyl N-[4-(trifluoromethyl)phenyl]carbamate

C12H14F3NO2

结构：CC(C)(C)OC(=O)N1CCCSc2cc(C(F)(F)F)ccc21

HCID22620709

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

HCID22620741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1479727dc6604b2c8963e09705d598f6
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:23]([Li:24])([CH3:25])([CH3:26])[CH3:27].[CH3:52][CH2:53][CH2:54][CH2:55][CH3:56].[Cl:47][CH2:48][CH2:49][CH2:50][I:51].[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([cH:19][cH:20]1)[N:7]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:8][CH2:9][CH2:10][S:11]2)([F:21])[F:22].[F:28][C:29]([F:30])([F:31])[c:32]1[cH:33][cH:34][c:35]([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:44][cH:45]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:62].[S:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([cH:19][cH:20]1)[N:7]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH:8]=[CH:9][CH2:10][S:11]2)([F:21])[F:22]