HRID680163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID2724942

未命名化合物

HCID13283519

tert-Butyl 2-aminobutanoate

C8H17NO2

结构：COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc(C=O)c12

HCID49761613

1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate

C15H16N2O5

PRODUCTS

生成物

结构：CCC(NCc1ccnc2c1c(C(=O)OC)cn2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID67225072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3570153429884900beaec31152b0dd92
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:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH:27](=[O:28])[c:29]1[c:30]2[c:31]([n:32][cH:33][cH:34]1)[n:35]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:36][c:37]2[C:38](=[O:39])[O:40][CH3:41].[ClH:15].[NH2:16][CH:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][CH3:26].[Na+:14]>>[NH:16]([CH:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][CH3:26])[CH2:27][c:29]1[c:30]2[c:31]([n:32][cH:33][cH:34]1)[n:35]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:36][c:37]2[C:38](=[O:39])[O:40][CH3:41]