HRID664144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

结构：COc1ccc(F)cc1C(=O)c1cnc(NC2CCNCC2)nc1N

HCID9997668

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(C(=O)CN(C)C)CC2)nc1N

HCID10320478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9996d0815d1c4c5eb498551321b840de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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