HRID112109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：CN(CCCCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(OC4CCCCO4)ccc32)cc1)CCCC(F)(F)C(F)(F)F

HCID21868887

未命名化合物

PRODUCTS

生成物

结构：CN(CCCCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1)CCCC(F)(F)C(F)(F)F

HCID21868886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-448a0e196d714a2e83897ac19780d817
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:62](=[O:63])([OH:64])[O-:65].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([C:15]2=[C:16]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:17][CH2:18][CH2:19][c:20]3[c:21]2[cH:22][cH:23][c:24]([O:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][O:32]2)[cH:25]3)[cH:13][cH:14]1)[CH2:39][CH2:40][CH2:41][C:42]([C:43]([F:44])([F:45])[F:46])([F:47])[F:48].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:67][OH:68].[Na+:66].[OH2:69].[OH:56][C:57]([C:58](=[O:59])[OH:60])=[O:61]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([C:15]2=[C:16]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:17][CH2:18][CH2:19][c:20]3[c:21]2[cH:22][cH:23][c:24]([OH:26])[cH:25]3)[cH:13][cH:14]1)[CH2:39][CH2:40][CH2:41][C:42]([C:43]([F:44])([F:45])[F:46])([F:47])[F:48]