HRID182368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID8071

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1[nH]nnc1CN1CC2CC2(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

HCID178483321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e19d0a4d8fa34bf087a16422e3cd1829
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:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:58](=[O:59])([OH:60])[O-:61].[CH3:30][N:31]([CH3:32])[CH2:33][c:34]1[c:35]([CH:39]=[O:40])[n:36][n:37][nH:38]1.[CH3:63][O:64][CH2:65][CH2:66][O:67][CH3:68].[ClH:55].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][C:9]23[CH:10]([c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[NH:11][CH2:12][CH:13]2[CH2:14]3)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29].[Na+:54].[Na+:57].[Na+:62].[OH-:56]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][C:9]23[CH:10]([c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[N:11]([CH2:39][c:35]4[c:34]([CH2:33][N:31]([CH3:30])[CH3:32])[nH:38][n:37][n:36]4)[CH2:12][CH:13]2[CH2:14]3)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]