HRID2335287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OC1CCC(n2cc(-c3cnc(N)c4oc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc34)cn2)CC1

HCID86662426

未命名化合物

PRODUCTS

生成物

结构：Nc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)oc12

HCID86662427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1523303472e4fd69541bb888b67f787
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

[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[F-:44].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:13]2[cH:14][c:15]3[c:16]([c:17]([NH2:40])[n:18][cH:19][c:20]3-[c:21]3[cH:22][n:23][n:24]([CH:26]4[CH2:27][CH2:28][CH:29]([O:32][Si:33]([C:34]([CH3:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39])[CH2:30][CH2:31]4)[cH:25]3)[o:41]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:42])[F:43]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:13]2[cH:14][c:15]3[c:16]([c:17]([NH2:40])[n:18][cH:19][c:20]3-[c:21]3[cH:22][n:23][n:24]([CH:26]4[CH2:27][CH2:28][CH:29]([OH:32])[CH2:30][CH2:31]4)[cH:25]3)[o:41]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:42])[F:43]