HRID1544249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13831

Tributylphosphine

C12H27P

HCID73042

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

C12H20N4O2

HCID16641178

未命名化合物

HCID53471246

{2-[4-(Trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl}methanol

C15H10F3NOS

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(SCc2ccc3nc(-c4ccc(C(F)(F)F)cc4)sc3c2)cc1C

HCID57432033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f18b7ec61fd643e6807f29e52738af68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[F:32][C:33]([c:34]1[cH:35][cH:36][c:37](-[c:40]2[s:41][c:42]3[c:43]([n:44]2)[cH:45][cH:46][c:47]([CH2:49][OH:50])[cH:48]3)[cH:38][cH:39]1)([F:51])[F:52].[N:14]([C:15]([N:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)=[O:22])=[N:23][C:24]([N:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1)=[O:31].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[SH:53][c:54]1[cH:55][c:56]([CH3:67])[c:57]([O:58][CH2:59][C:60](=[O:61])[O:62][CH2:63][CH3:64])[cH:65][cH:66]1>>[F:32][C:33]([c:34]1[cH:35][cH:36][c:37](-[c:40]2[s:41][c:42]3[c:43]([n:44]2)[cH:45][cH:46][c:47]([CH2:49][S:53][c:54]2[cH:55][c:56]([CH3:67])[c:57]([O:58][CH2:59][C:60](=[O:61])[O:62][CH2:63][CH3:64])[cH:65][cH:66]2)[cH:48]3)[cH:38][cH:39]1)([F:51])[F:52]