HRID691328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID141317

2-(Benzoylamino)cyclohexanecarboxylic acid

C14H17NO3

HCID68982820

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCCCC1C(=O)N1CCC2C(c3ccccc3)Nc3ccccc3C21)c1ccccc1

HCID178521938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08095a73276f42a99b95468760a779e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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