HRID701101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID123457

1H-Imidazole, 2-(1-methylethyl)-

C6H10N2

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)OCC2CC3c4cccc5[nH]cc(c45)CC3N(C)C2)cc1

HCID178427664

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nccn1CC1CC2c3cccc4[nH]cc(c34)CC2N(C)C1

HCID178440115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caecbbceae764cd385a3c96fe1820f92
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

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