HRID684826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID77133

Benzimidazole, 2-trichloromethyl-

C8H5Cl3N2

结构：CCCNC1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178456782

未命名化合物

PRODUCTS

生成物

结构：CCCN(C(=O)c1nc2ccccc2[nH]1)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178457747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0318204b5af04a0a8982a8ae9322e1e0
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:45](=[O:46])([OH:47])[O-:48].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[Cl:1][C:2]([c:3]1[n:4][c:5]2[c:6]([nH:7]1)[cH:8][cH:9][cH:10][cH:11]2)([Cl:12])[Cl:13].[Na+:49].[O:14]1[CH2:15][CH2:16][N:17]([C:20](=[O:21])[CH:22]2[CH2:23][N:24]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:25][CH:26]([NH:28][CH2:29][CH2:30][CH3:31])[CH2:27]2)[CH2:18][CH2:19]1.[OH2:39]>>[C:2]([c:3]1[nH:4][c:5]2[c:6]([n:7]1)[cH:8][cH:9][cH:10][cH:11]2)([N:28]([CH:26]1[CH2:25][N:24]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:23][CH:22]([C:20]([N:17]2[CH2:16][CH2:15][O:14][CH2:19][CH2:18]2)=[O:21])[CH2:27]1)[CH2:29][CH2:30][CH3:31])=[O:39]