HRID1559844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3364576

6-Methoxynicotinaldehyde

C7H7NO2

HCID24229213

5-Chloro-1H-pyrrolo[2,3-b]pyridine

C7H5ClN2

结构：COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)cn1

HCID57619225

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4ncc(Cl)cc34)cn2)cn1

HCID57619403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b4c32390930453c890bf3b9f4040533
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([N:17]([CH2:18][c:19]1[cH:20][n:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)[c:27]1[n:28][cH:29][c:30]([CH:33]=[O:34])[cH:31][cH:32]1)=[O:35].[CH3:36][O:37][c:38]1[n:39][cH:40][c:41]([CH:42]=[O:43])[cH:44][cH:45]1.[CH3:48][OH:49].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][cH:10]2.[K+:47].[OH-:46].[OH2:50]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:33]([c:30]1[cH:29][n:28][c:27]([N:17]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:35])[CH2:18][c:19]2[cH:20][n:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:32][cH:31]1)[OH:34]