HRID199398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1

HCID57625147

未命名化合物

HCID57625159

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2cc3c(s2)C(=O)CCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1

HCID25234214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37060d02fd2941a88245294c1bfb8b12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[NH2:1][c:2]1[c:3]([CH3:32])[c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[cH:18][cH:19][c:20]([CH:23]4[N:24]([CH3:31])[CH2:25][CH2:26][N:27]([CH3:30])[C:28]4=[O:29])[cH:21][cH:22]3)[c:11](=[O:15])[n:12]([CH3:14])[cH:13]2)[cH:5][cH:6][cH:7]1.[O:33]=[C:34]1[CH2:35][CH2:36][CH2:37][c:38]2[c:39]1[s:40][c:41]([C:43](=[O:44])[OH:45])[cH:42]2.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH2:82].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][P+:64]([N:65]([CH3:66])[CH3:67])([N:68]([CH3:69])[CH3:70])[N:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[NH:1]([c:2]1[c:3]([CH3:32])[c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[cH:18][cH:19][c:20]([CH:23]4[N:24]([CH3:31])[CH2:25][CH2:26][N:27]([CH3:30])[C:28]4=[O:29])[cH:21][cH:22]3)[c:11](=[O:15])[n:12]([CH3:14])[cH:13]2)[cH:5][cH:6][cH:7]1)[C:43]([c:41]1[s:40][c:39]2[c:38]([cH:42]1)[CH2:37][CH2:36][CH2:35][C:34]2=[O:33])=[O:44]