HRID91358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23393

2-(Chloromethyl)pyridine

C6H6ClN

HCID3280088

未命名化合物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5[nH]4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC

HCID9916763

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC

HCID9853043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3c916c12ad04e69840ac52b890c6980
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([nH:33]4)[cH:34][cH:35][cH:36][cH:37]5)[CH2:26][CH2:27]3)[CH2:11][CH2:12]2)[cH:38][c:39]([O:43][CH3:44])[c:40]1[O:41][CH3:42].[CH3:45][Si:46]([N-:47][Si:48]([CH3:49])([CH3:50])[CH3:51])([CH3:52])[CH3:53].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl:81][CH2:82][Cl:83].[K+:54].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[c:62]1([CH2:68][Cl:69])[cH:63][cH:64][cH:65][cH:66][n:67]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30]([CH2:68][c:62]5[cH:63][cH:64][cH:65][cH:66][n:67]5)[c:31]5[c:32]([n:33]4)[cH:34][cH:35][cH:36][cH:37]5)[CH2:26][CH2:27]3)[CH2:11][CH2:12]2)[cH:38][c:39]([O:43][CH3:44])[c:40]1[O:41][CH3:42]