HRID1218375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID110862

2,6-Dimethyl morpholine

C6H13NO

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：COc1ccccc1C(c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CC(C)OC(C)C1

HCID44236499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec0da1b32f1f485aaf662ffd33d52961
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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][CH:37]1[O:38][CH:39]([CH3:43])[CH2:40][NH:41][CH2:42]1.[O:44]1[c:45]2[cH:46][cH:47][c:48]([C:49]3([C:50]([NH:51][c:52]4[cH:53][cH:54][c:55]([CH:56]([N:57]([CH3:58])[CH3:59])[c:60]5[cH:61][cH:62][cH:63][cH:64][c:65]5[O:66][CH3:67])[cH:68][n:69]4)=[O:70])[CH2:71][CH2:72]3)[cH:73][c:74]2[O:75][CH2:76]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:41]1[CH2:40][CH:39]([CH3:43])[O:38][CH:37]([CH3:36])[CH2:42]1