HRID119368

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11449840

3-Methoxy-4-o-tolylureidophenylacetic acid

C17H18N2O4

HCID178498252

未命名化合物

PRODUCTS

生成物

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

HCID23512480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38eeef8600b3425eac5e923ab65f9a78
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

[CH2:43]([Cl:44])[CH2:45][Cl:46].[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.[CH3:24][O:25][CH:26]1[CH2:27][CH:28]([CH2:31][O:32][c:33]2[cH:34][cH:35][c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]2)[NH:29][CH2:30]1.[ClH:47].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:23])[N:29]2[CH:28]([CH2:31][O:32][c:33]3[cH:34][cH:35][c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]3)[CH2:27][CH:26]([O:25][CH3:24])[CH2:30]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