HRID98529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID11449840

3-Methoxy-4-o-tolylureidophenylacetic acid

C17H18N2O4

结构：COC(=O)c1ccc(OCC2CC(Oc3ccc4ccccc4c3)CN2)cc1

HCID23511966

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC2CC(Oc3ccc4ccccc4c3)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

HCID23512034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26129815d6534ade94725ad534478203
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

[CH2:52]([Cl:53])[CH2:54][Cl:55].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:22])[OH:23])[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1.[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[ClH:56].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:57].[cH:24]1[c:25]([O:34][CH:35]2[CH2:36][CH:37]([CH2:40][O:41][c:42]3[cH:43][cH:44][c:45]([C:46](=[O:47])[O:48][CH3:49])[cH:50][cH:51]3)[NH:38][CH2:39]2)[cH:26][cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:23])[N:38]2[CH:37]([CH2:40][O:41][c:42]3[cH:43][cH:44][c:45]([C:46](=[O:47])[O:48][CH3:49])[cH:50][cH:51]3)[CH2:36][CH:35]([O:34][c:25]3[cH:24][c:33]4[c:28]([cH:27][cH:26]3)[cH:29][cH:30][cH:31][cH:32]4)[CH2:39]2)[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1