HRID2144132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID78925

Methylthioethanol

C3H8OS

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：Oc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2OCc2ccccc2)nc1

HCID86626823

未命名化合物

PRODUCTS

生成物

结构：CSCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2OCc2ccccc2)nc1

HCID86626873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01da042344414a61acf0e8a31fe1d495
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([OH:19])[cH:17][n:18]2)[CH2:20][c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1.[CH3:43][S:44][CH2:45][CH2:46][OH:47].[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[N:74]([C:75]([O:76][CH2:77][CH3:78])=[O:79])=[N:80][C:81]([O:82][CH2:83][CH3:84])=[O:85].[O:86]1[CH2:87][CH2:88][CH2:89][CH2:90]1.[OH2:97].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([CH3:68])[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([O:19][CH2:46][CH2:45][S:44][CH3:43])[cH:17][n:18]2)[CH2:20][c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1