HRID98544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

结构：O=C1OC(CO)CN1c1cc(F)c(C2=CCN(Cc3ccccc3)CC2)c(F)c1

HCID21876642

未命名化合物

HCID22719942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CC1CN(c2cc(F)c(C3=CCN(Cc4ccccc4)CC3)c(F)c2)C(=O)O1)c1cnsn1

HCID178453104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56fae25222a34938a796aef85e589329
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

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