HRID2134202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OC1CN(CC(Oc2ncnc3c2cnn3-c2ccccc2Cl)C(=O)Nc2ccc(F)cn2)C1

HCID76550511

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cn1)C(CN1CC(O)C1)Oc1ncnc2c1cnn2-c1ccccc1Cl

HCID75162257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfbc75f6038e426ea54982cd716e4860
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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