HRID1120413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID41958

2-Butoxyacetic acid

C6H12O3

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(S(N)(=O)=O)s1

HCID11394744

未命名化合物

PRODUCTS

生成物

结构：CCCCOCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1

HCID10163396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-347ce3d0a82f4eb28f6cf2dcafaa448f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH2:13]([CH2:14][CH2:15][CH3:16])[O:17][CH2:18][C:19](=[O:20])[OH:21].[CH2:47]1[CH2:48][CH2:49][C:50]2=[N:55][CH2:54][CH2:53][CH2:52][N:51]2[CH2:56][CH2:57]1.[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:63][OH:64].[n:22]1([CH2:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[c:35]([S:43](=[O:44])(=[O:45])[NH2:46])[s:36][c:37]([CH2:39][CH:40]([CH3:41])[CH3:42])[cH:38]3)[cH:32][cH:33]2)[cH:23][n:24][cH:25][cH:26]1>>[CH2:13]([CH2:14][CH2:15][CH3:16])[O:17][CH2:18][C:19](=[O:21])[NH:46][S:43]([c:35]1[c:34](-[c:31]2[cH:30][cH:29][c:28]([CH2:27][n:22]3[cH:23][n:24][cH:25][cH:26]3)[cH:33][cH:32]2)[cH:38][c:37]([CH2:39][CH:40]([CH3:41])[CH3:42])[s:36]1)(=[O:44])=[O:45]