HRID1231547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(N)c3)c3ccccc23)cc1

HCID58416753

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1

HCID45109868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2f43b3fee024524a561d615902ab285
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:49][O:50][CH2:51][C:52](=[O:53])[Cl:54].[CH3:64][OH:65].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:56][CH2:57][Cl:58].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([NH:20][C:21](=[O:22])[NH:23][c:24]3[cH:25][c:26]([C:36]([CH3:37])([CH3:38])[CH3:39])[n:27][n:28]3-[c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:7]1.[NH3:55].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([NH:20][C:21](=[O:22])[NH:23][c:24]3[cH:25][c:26]([C:36]([CH3:37])([CH3:38])[CH3:39])[n:27][n:28]3-[c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:7]1)[C:52]([CH2:51][O:50][CH3:49])=[O:53]