HRID287952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID4183641

tert-Butyl 3-{[(methanesulfonyl)oxy]methyl}pyrrolidine-1-carboxylate

C11H21NO5S

结构：O=C(Cn1cc(Nc2ncnc3cc(O)ccc23)cn1)Nc1cccc(F)c1

HCID136383490

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COc2ccc3c(Nc4cnn(CC(=O)Nc5cccc(F)c5)c4)ncnc3c2)C1

HCID68638512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12a693654bd04cf3b31df275f9cabe41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[C:54]([N:55]([CH3:56])[CH3:57])(=[O:58])[CH3:59].[CH3:35][S:36]([O:37][CH2:40][CH:41]1[CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]1)(=[O:38])=[O:39].[Cs+:33].[Cs+:34].[F:1][c:2]1[cH:3][c:4]([NH:8][C:9]([CH2:10][n:11]2[n:12][cH:13][c:14]([NH:16][c:17]3[n:18][cH:19][n:20][c:21]4[cH:22][c:23]([OH:27])[cH:24][cH:25][c:26]34)[cH:15]2)=[O:28])[cH:5][cH:6][cH:7]1.[OH2:53]>>[F:1][c:2]1[cH:3][c:4]([NH:8][C:9]([CH2:10][n:11]2[n:12][cH:13][c:14]([NH:16][c:17]3[n:18][cH:19][n:20][c:21]4[cH:22][c:23]([O:27][CH2:40][CH:41]5[CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]5)[cH:24][cH:25][c:26]34)[cH:15]2)=[O:28])[cH:5][cH:6][cH:7]1