HRID152414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID533845

N-(2-Aminoethyl)methanesulfonamide

C3H10N2O2S

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)O)cc1

HCID69152146

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)NCCNS(C)(=O)=O)cc1

HCID69200769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8668e48b0a714376ac1e7c12f6e91447
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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