HRID121059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID11671

2-Hydroxyisobutyric acid

C4H8O3

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCNCC1

HCID58727827

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)O)CC1

HCID68678072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20c23c2e531b4367ab9446349be93508
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:8]([n:9]1[cH:10][cH:11][n:12][cH:13]1)([n:14]1[cH:15][cH:16][n:17][cH:18]1)=[O:19].[CH3:1][C:2]([CH3:3])([OH:4])[C:5]([OH:6])=[O:7].[CH3:20][c:21]1[n:22][c:23]2[c:24]([n:25]1[CH:26]1[CH2:27][CH:28]3[CH2:29][CH2:30][CH:31]([CH2:32]1)[N:33]3[CH2:34][CH2:35][C:36]1([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[cH:48][cH:49][cH:50][cH:51]2.[Cl:57][CH2:58][CH2:59][Cl:60].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[CH3:1][C:2]([CH3:3])([OH:4])[C:5](=[O:7])[N:39]1[CH2:38][CH2:37][C:36]([CH2:35][CH2:34][N:33]2[CH:28]3[CH2:27][CH:26]([n:25]4[c:21]([CH3:20])[n:22][c:23]5[c:24]4[cH:48][cH:49][cH:50][cH:51]5)[CH2:32][CH:31]2[CH2:30][CH2:29]3)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:41][CH2:40]1