HRID1139249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6809

Phthalimide

C8H5NO2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：Cc1nn(-c2ncccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12

HCID52914971

LY-2940094

C22H23ClF2N4O2S

PRODUCTS

生成物

结构：Cc1nn(-c2ncccc2CN2C(=O)c3ccccc3C2=O)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12

HCID67169378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e85f21b7ccfa4ae48791ee6efb36564e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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