HRID1560360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2724630

Fmoc-beta-alanine

C18H17NO4

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：N#CCCN1CCC(Nc2c(N)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67345618

未命名化合物

PRODUCTS

生成物

结构：N#CCCN1CCC(Nc2c(NC(=O)CCNC(=O)OCC3c4ccccc4-c4ccccc43)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67345405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb24337faa334b0faa7bac9aeb717535
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](=[O:2])([O:3][CH2:4][CH:5]1[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21)[NH:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[NH2:57][c:58]1[c:59]([NH:76][CH:77]2[CH2:78][CH2:79][N:80]([CH2:83][CH2:84][C:85]#[N:86])[CH2:81][CH2:82]2)[c:60]2[c:61]([n:62][cH:63]1)[n:64]([S:67](=[O:68])(=[O:69])[c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[cH:65][cH:66]2.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1](=[O:2])([O:3][CH2:4][CH:5]1[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21)[NH:18][CH2:19][CH2:20][C:21](=[O:22])[NH:57][c:58]1[c:59]([NH:76][CH:77]2[CH2:78][CH2:79][N:80]([CH2:83][CH2:84][C:85]#[N:86])[CH2:81][CH2:82]2)[c:60]2[c:61]([n:62][cH:63]1)[n:64]([S:67](=[O:68])(=[O:69])[c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[cH:65][cH:66]2