HRID1219864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8431

1-Piperazinecarboxylic acid, ethyl ester

C7H14N2O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：O=C(NC(C(=O)O)C1CCCCC1)c1cc(OCC(=O)N2CCCC2C(=O)NC2CCC2)n(-c2ccccc2)n1

HCID178523561

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCN(C(=O)C(NC(=O)c2cc(OCC(=O)N3CCCC3C(=O)NC3CCC3)n(-c3ccccc3)n2)C2CCCCC2)CC1

HCID66856207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bcbd4719d8b4f92a60173f8ea4462f4
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

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