HRID677852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6329

Methylamine

CH5N

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：CNC(c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)c1ccccc1OC

HCID57895120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1382baaa1994ceebf634b88dcd4b214
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][S:2]([O:3][CH:4]([c:5]1[cH:6][n:7][c:8]([NH:9][C:10]([C:11]2([c:12]3[cH:13][cH:14][c:15]4[c:19]([cH:20]3)[O:18][CH2:17][O:16]4)[CH2:21][CH2:22]2)=[O:23])[cH:24][cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1[O:32][CH3:33])(=[O:34])=[O:35].[CH3:36][NH2:37].[O:38]1[CH2:39][O:40][c:41]2[c:42]1[cH:43][cH:44][c:45]([C:47]1([C:50](=[O:51])[NH:52][c:53]3[n:54][cH:55][c:56]([CH:59]([c:60]4[c:61]([O:66][CH3:67])[cH:62][cH:63][cH:64][cH:65]4)[N:68]([CH3:69])[CH3:70])[cH:57][cH:58]3)[CH2:48][CH2:49]1)[cH:46]2>>[O:38]1[CH2:39][O:40][c:41]2[c:42]1[cH:43][cH:44][c:45]([C:47]1([C:50](=[O:51])[NH:52][c:53]3[n:54][cH:55][c:56]([CH:59]([c:60]4[c:61]([O:66][CH3:67])[cH:62][cH:63][cH:64][cH:65]4)[NH:68][CH3:69])[cH:57][cH:58]3)[CH2:48][CH2:49]1)[cH:46]2