HRID213629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID9222

1H-Pyrrolo[2,3-b]pyridine

C7H6N2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2COS(C)(=O)=O)cc1)C(F)(F)F

HCID86670324

未命名化合物

PRODUCTS

生成物

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2Cn2ccc3cccnc32)cc1)C(F)(F)F

HCID66584034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a351310547bd4b69a1173013c7073b22
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

[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][S:2]([O:3][CH2:6][CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)(=[O:4])=[O:5].[CH3:49][C:50]#[N:51].[Cs+:47].[Cs+:48].[OH2:52].[nH:34]1[cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][n:41][c:42]12>>[CH2:6]([CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)[n:34]1[cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][n:41][c:42]12