HRID174241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID81453

N-Methylpyrrole-2-carboxylic acid

C6H7NO2

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCO)cc2)C(OCc2ccc3ccccc3c2)C1

HCID54366502

未命名化合物

PRODUCTS

生成物

结构：Cn1cccc1C(=O)OCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3ccccc3c2)cc1

HCID86604450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3acac5c5fe65482494fe0f37f8e942cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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