HRID2316705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID57750384

未命名化合物

结构：CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750394

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(CCNC(N)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c8091cd52f469bb7e62fb440017a38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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