HRID1228980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CNc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)nc1

HCID68494554

未命名化合物

HCID85639929

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)N(C)c1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)nc1

HCID86646551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36108316fc0a42d293b678319b50e276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

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