HRID177426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CCN(c1cc(-c2ccc(N3CCC(N(C(=O)[O-])C(C)(C)C)CC3)nc2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID178463237

未命名化合物

PRODUCTS

生成物

结构：CCN(c1cc(-c2ccc(N3CCC(N)CC3)nc2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a89f40fca2747daa0e8008bd812422a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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