HRID1238654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81115

N-Allylcyclohexylamine

C9H17N

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)(C)OC(=O)N(CCOc1cc(Cl)cc(C(=O)O)c1)c1ccncc1

HCID18348849

未命名化合物

PRODUCTS

生成物

结构：C=CCN(C(=O)c1cc(Cl)cc(OCCN(C(=O)OC(C)(C)C)c2ccncc2)c1)C1CCCCC1

HCID53724634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc1ce3ffe7294e4199ad72b09ea148b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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