HRID1203164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

反应SMILES：CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cn2)CC1

HCID11244775

Tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate

C14H20BrN3O2

反应SMILES：CC(=O)NCC1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C(=O)O1

HCID22273985

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)NCC1CN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(F)c2)C(=O)O1

HCID77513119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-488fb8c4d8634f1d838b6526667f556d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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