HRID680702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID77969

Carbamic chloride, methylphenyl-

C8H8ClNO

HCID178491588

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2ccc(OC(=O)N(C)c3ccccc3)nc2)cc1

HCID69519091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ad365b83e454bd0a2b8a9934c6b79ab
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

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