HRID111746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

反应SMILES：Cc1cccc2cc(C(C)Nc3nc(F)nc4c3ncn4C3CCCCO3)n(-c3ccccc3)c(=O)c12

HCID69033406

未命名化合物

反应SMILES：Cc1cccc2cc(C(C)Nc3nc(F)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

HCID178423750

未命名化合物

PRODUCTS

产物

HCID178423750

未命名化合物

2 次

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fc194d29962248e0a64f47c8fa892a18
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

[CH3:75][CH2:76][OH:77].[ClH:74].[F:1][c:2]1[n:3][c:4]([NH:17][CH:18]([CH3:19])[c:20]2[n:21](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:22](=[O:31])[c:23]3[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]3[cH:29]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][O:16]3)[c:9]2[n:10]1.[F:43][c:44]1[n:45][c:46]([NH:53][CH:54]([CH3:55])[c:56]2[n:57](-[c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)[c:58](=[O:67])[c:59]3[c:60]([CH3:66])[cH:61][cH:62][cH:63][c:64]3[cH:65]2)[c:47]2[n:48][cH:49][nH:50][c:51]2[n:52]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[F:1][c:2]1[n:3][c:4]([NH:17][CH:18]([CH3:19])[c:20]2[n:21](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:22](=[O:31])[c:23]3[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]3[cH:29]2)[c:5]2[n:6][cH:7][nH:8][c:9]2[n:10]1.[F:43][c:44]1[n:45][c:46]([NH:53][CH:54]([CH3:55])[c:56]2[n:57](-[c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)[c:58](=[O:67])[c:59]3[c:60]([CH3:66])[cH:61][cH:62][cH:63][c:64]3[cH:65]2)[c:47]2[n:48][cH:49][nH:50][c:51]2[n:52]1