HRID292175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2783372

4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid

C12H7F3O2S

结构：CC(C)(C)OC(=O)C1CN(Cc2ccc(C(N)=NO)cc2)C1

HCID76806751

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CN(Cc2ccc(C(N)=NOC(=O)c3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1

HCID91608035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00ef8c3436294c029e47eeb9fc764e7f
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

[CH2:60]([Cl:61])[CH2:62][Cl:63].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[OH:19][N:20]=[C:21]([NH2:22])[c:23]1[cH:24][cH:25][c:26]([CH2:27][N:28]2[CH2:29][CH:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]2)[cH:39][cH:40]1.[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1.[c:1]1(-[c:7]2[cH:8][c:9]([C:16](=[O:17])[OH:18])[s:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]([C:16](=[O:17])[O:18][N:20]=[C:21]([NH2:22])[c:23]3[cH:24][cH:25][c:26]([CH2:27][N:28]4[CH2:29][CH:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]4)[cH:39][cH:40]3)[s:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1