HRID94768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(O)c1ccc(C(=CC2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

HCID67229207

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1ccc(C(=CC2CCCC2)c2cc3cc(F)cnc3[nH]2)cc1

HCID67228295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-852469d58e614aabbc0bf07349d6fffc
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

[CH3:40][CH2:41][OH:42].[NH3:39].[Na+:38].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:37].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[c:11]([C:20](=[CH:21][CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[c:27]3[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[OH:36])[cH:31][cH:32]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[c:11]([C:20](=[CH:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[c:27]2[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[OH:36])[cH:31][cH:32]2)[cH:12][c:13]2[c:14]1[n:15][cH:16][c:17]([F:19])[cH:18]2