HRID102940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID24841

Hydrogen iodide

HCID10487134

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(N2CCCCc3cc(N)ccc32)CC1

HCID59807144

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N2CCCCc3cc(NC(=N)c4cccs4)ccc32)CC1

HCID178452053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6e63869d843428db55bf38511934164
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[c:15]3[c:16]([cH:21][c:22]([NH2:25])[cH:23][cH:24]3)[CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:12][CH2:13]1.[C:39](=[O:40])([OH:41])[O-:42].[CH3:36][CH2:37][OH:38].[IH:26].[Na+:43].[s:27]1[c:28]([C:32](=[NH:33])[S:34][CH3:35])[cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[c:15]3[c:16]([cH:21][c:22]([NH:25][C:32]([c:28]4[s:27][cH:31][cH:30][cH:29]4)=[NH:33])[cH:23][cH:24]3)[CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:12][CH2:13]1