HRID1141612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

反应SMILES：Cc1cc(F)ccc1-c1cc(N2CCN(Cc3ccccc3)CC2C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87304623

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(F)ccc1-c1cc(N2CCNCC2C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87305115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8286693dccd34c60be087c1ffbd534c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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