HRID115312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67349648

未命名化合物

结构：COc1ccc(Cn2nc(N3CCN(C(=O)OC(C)(C)C)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68510616

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(N3CCN(C(=O)OC(C)(C)C)CC3)c3c(Oc4ccc(NC(=O)C56CC5CN(c5ccc(F)cc5)C6=O)cc4F)ccnc32)cc1

HCID68514115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96af164cad034343ba5ee47201364617
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

[CH3:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68].[Cl-:79].[F:41][c:42]1[cH:43][cH:44][c:45]([N:48]2[C:49](=[O:57])[C:50]3([C:54](=[O:55])[OH:56])[CH2:51][CH:52]3[CH2:53]2)[cH:46][cH:47]1.[NH2:1][c:2]1[cH:3][c:4]([F:40])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([CH2:29][c:30]2[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[n:14][c:15]3[N:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:38][cH:39]1.[NH4+:80].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:69][n:70]1[c:71]2[c:72]([cH:73][cH:74][cH:75][cH:76]2)[n:77][n:78]1>>[NH:1]([c:2]1[cH:3][c:4]([F:40])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([CH2:29][c:30]2[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[n:14][c:15]3[N:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:38][cH:39]1)[C:54]([C:50]12[C:49](=[O:57])[N:48]([c:45]3[cH:44][cH:43][c:42]([F:41])[cH:47][cH:46]3)[CH2:53][CH:52]1[CH2:51]2)=[O:55]