HRID290290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID12042519

3-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

C9H8N2O2

结构：CCOC(=O)COc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CO)cc1C

HCID86591789

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2COc2cccc(-c3noc(C)n3)c2)cc1C

HCID86591788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5bd665d1e7e4737bf32b9728d7d6103
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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