HRID2345316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID73561

1,2-Propanediol, 3-amino-

C3H9NO2

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)O)s2)c1

HCID58456297

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)NCC(O)CO)s2)c1

HCID67256598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b615cd207180404b8491593fc08cf8f3
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

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