HRID1147002

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)(C)[Si](OC1CCC(C2CCN(Cc3c(Cl)cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc3Cl)C2=O)CC1)(c1ccccc1)c1ccccc1

HCID67354701

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(-c2cc(Cl)c(CN3CCC(C4CCC(O)CC4)C3=O)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

HCID57657996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ab2d34920364ffeb524e23bb3c6d7d0
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

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