HRID120100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID101

3-Hydroxybenzaldehyde

C7H6O2

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：OCCCN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1

HCID57757117

未命名化合物

PRODUCTS

生成物

结构：O=Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID86598291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37a7f6ba18594620b09c54bec3cbb0cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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