HRID152906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID603258

4-bromo-N-tert-butylbenzamide

C11H14BrNO

结构：O=C(O)CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID11395367

4-[1-(Triphenylmethyl)-1H-imidazol-4-yl]butanoic acid

C26H24N2O2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1ccc(C(=O)CCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

HCID54304392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f113d02ead7405693d499236d086c70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[cH:35][n:36][c:37]([CH2:39][CH2:40][CH2:41][C:42](=[O:43])[OH:44])[cH:38]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][cH:9][c:10]([Br:13])[cH:11][cH:12]1)=[O:14].[CH2:52]([Li:53])[CH2:54][CH2:55][CH3:56].[Cl-:45].[NH4+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][cH:9][c:10]([C:42]([CH2:41][CH2:40][CH2:39][c:37]2[n:36][cH:35][n:34]([C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:38]2)=[O:43])[cH:11][cH:12]1)=[O:14]