HRID1575567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID92209

2-Methoxypropionic acid

C4H8O3

HCID19010376

未命名化合物

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

HCID58532550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd3a51cae802428eaf35554d6e9d0c8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:66][OH:67].[CH3:7][O:8][CH:9]([C:10](=[O:11])[OH:12])[CH3:13].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:1][C:2]([N:3]([CH3:4])[CH3:5])=[CH2:6].[Cl:62][CH2:63][Cl:64].[NH2:14][c:15]1[n:16][cH:17][cH:18][c:19]([CH2:21][O:22][c:23]2[cH:24][cH:25][c:26]([NH:33][C:34](=[O:35])[NH:36][c:37]3[cH:38][c:39]([C:49]([CH3:50])([CH3:51])[CH3:52])[n:40][n:41]3-[c:42]3[cH:43][cH:44][c:45]([CH3:48])[cH:46][cH:47]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[cH:20]1.[NH3:65]>>[CH3:7][O:8][CH:9]([C:10](=[O:12])[NH:14][c:15]1[n:16][cH:17][cH:18][c:19]([CH2:21][O:22][c:23]2[cH:24][cH:25][c:26]([NH:33][C:34](=[O:35])[NH:36][c:37]3[cH:38][c:39]([C:49]([CH3:50])([CH3:51])[CH3:52])[n:40][n:41]3-[c:42]3[cH:43][cH:44][c:45]([CH3:48])[cH:46][cH:47]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[cH:20]1)[CH3:13]