HRID2312450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(C(=O)CN)cc3)cc2)[nH]1)C(C)C

HCID66620889

未命名化合物

HCID66621069

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC1CCCN(C(C)C(=O)NCC(=O)c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)C1=O

HCID66620876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c58a76d35b0444789fb6a810de52eb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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