HRID191108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID2783005

{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanol

C12H10F3NOS

HCID67058135

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(OCC)c1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1

HCID67058043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ae0024a396b4c03ad5b7fa95afe475b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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