HRID698736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

反应SMILES：CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1

HCID59129549

未命名化合物

反应SMILES：CC1(C)OCC(Cn2c(C(C)(C)CCO)cc3cc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)c(F)cc32)O1

HCID67044202

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CC(O)CO

HCID67044185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8b10624608cc4500aee0c9b7d405a6f7
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

[CH3:75][OH:76].[F:1][C:2]1([F:41])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][c:19]5[cH:20][c:21]([C:35]([CH3:36])([CH2:37][CH2:38][OH:39])[CH3:40])[n:22]([CH2:27][CH:28]6[O:29][C:30]([CH3:33])([CH3:34])[O:31][CH2:32]6)[c:23]5[cH:24][c:25]4[F:26])[CH2:12][CH2:13]3)[cH:10]2)[O:6]1.[F:42][C:43]1([F:44])[O:45][c:46]2[cH:47][cH:48][c:49]([C:50]3([C:51]([NH:52][c:53]4[cH:54][c:55]5[c:56]([cH:57][c:58]4[F:59])[nH:60][c:61]([C:62]([CH3:63])([CH2:64][CH2:65][OH:66])[CH3:67])[cH:68]5)=[O:69])[CH2:70][CH2:71]3)[cH:72][c:73]2[O:74]1.[OH2:77]>>[F:1][C:2]1([F:41])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][c:19]5[cH:20][c:21]([C:35]([CH3:36])([CH2:37][CH2:38][OH:39])[CH3:40])[n:22]([CH2:27][CH:28]([OH:29])[CH2:32][OH:31])[c:23]5[cH:24][c:25]4[F:26])[CH2:12][CH2:13]3)[cH:10]2)[O:6]1