HRID145028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12219

Ethylmethylamine

C3H9N

结构：COc1ccccc1C(c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N(C)C

HCID44236497

未命名化合物

结构：COc1ccccc1C(OS(C)(=O)=O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1

HCID57895126

未命名化合物

PRODUCTS

生成物

结构：CCN(C)C(c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)c1ccccc1OC

HCID57895165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-885faf3acf154e8fbc8fc185fc54d9ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][S:2]([O:3][CH:6]([c:7]1[c:8]([O:13][CH3:14])[cH:9][cH:10][cH:11][cH:12]1)[c:15]1[cH:16][n:17][c:18]([NH:21][C:22](=[O:23])[C:24]2([c:27]3[cH:28][c:29]4[c:30]([cH:34][cH:35]3)[O:31][CH2:32][O:33]4)[CH2:25][CH2:26]2)[cH:19][cH:20]1)(=[O:4])=[O:5].[CH3:36][NH:37][CH2:38][CH3:39].[O:40]1[c:41]2[cH:42][cH:43][c:44]([C:45]3([C:46]([NH:47][c:48]4[cH:49][cH:50][c:51]([CH:52]([N:53]([CH3:54])[CH3:55])[c:56]5[cH:57][cH:58][cH:59][cH:60][c:61]5[O:62][CH3:63])[cH:64][n:65]4)=[O:66])[CH2:67][CH2:68]3)[cH:69][c:70]2[O:71][CH2:72]1>>[CH:6]([c:7]1[c:8]([O:13][CH3:14])[cH:9][cH:10][cH:11][cH:12]1)([c:15]1[cH:16][n:17][c:18]([NH:21][C:22](=[O:23])[C:24]2([c:27]3[cH:28][c:29]4[c:30]([cH:34][cH:35]3)[O:31][CH2:32][O:33]4)[CH2:25][CH2:26]2)[cH:19][cH:20]1)[N:37]([CH3:36])[CH2:38][CH3:39]