HRID302080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID11562

m-Bromoaniline

C6H6BrN

HCID22311129

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(CN(C(=O)Nc2cccc(Br)c2)c2ccc(C3CCCCC3)cc2)cc1

HCID22311090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e52f26851a9f4571aebe35a68e301863
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][cH:8]1.[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH:18]1([c:24]2[cH:25][cH:26][c:27]([NH:30][CH2:31][c:32]3[cH:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]3)[cH:28][cH:29]2)[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[ClH:9].[O:10]=[C:11]([Cl:12])[O:13][C:14]([Cl:15])([Cl:16])[Cl:17]>>[Br:1][c:2]1[cH:3][c:4]([NH:5][C:11](=[O:10])[N:30]([c:27]2[cH:26][cH:25][c:24]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:29][cH:28]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]2)[cH:6][cH:7][cH:8]1