HRID2332726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)[Si](OC1CCN(N2CCC(Cc3c(Cl)cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc3Cl)C2=O)CC1)(C(C)C)C(C)C

HCID66904910

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(-c2cc(Cl)c(CC3CCN(N4CCC(O)CC4)C3=O)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

HCID66904927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8c647891ac14936bbd27a8325ee6046
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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