HRID2341546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7934

3-Methylaniline

C7H9N

HCID8058

n-Hexane

C6H14

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID28743231

未命名化合物

HCID66591548

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-n2cc(C(=O)NCC(=O)N3CCC(Oc4cccc(C(F)(F)F)c4)CC3)nn2)c1

HCID57874429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14333fe9eaef48b298854e4eb2a397a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:25][c:26]1[cH:27][c:28]([NH2:32])[cH:29][cH:30][cH:31]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH3:81][OH:82].[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:54].[NH2:55][CH2:56][C:57](=[O:58])[N:59]1[CH2:60][CH2:61][CH:62]([O:65][c:66]2[cH:67][c:68]([C:72]([F:73])([F:74])[F:75])[cH:69][cH:70][cH:71]2)[CH2:63][CH2:64]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:89].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[c:10]1([CH3:24])[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[cH:13][cH:14][cH:15]1>>[c:10]1([CH3:24])[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:23])[NH:55][CH2:56][C:57](=[O:58])[N:59]3[CH2:60][CH2:61][CH:62]([O:65][c:66]4[cH:67][c:68]([C:72]([F:73])([F:74])[F:75])[cH:69][cH:70][cH:71]4)[CH2:63][CH2:64]3)[cH:20]2)[cH:13][cH:14][cH:15]1