HRID2142886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID10214710

未命名化合物

结构：Cc1ccc(C(=O)O)cc1-n1cc(-c2ccc(Cl)nc2)nn1

HCID21097292

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4ccc(Cl)nc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21097171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4111e08667a74f35a7d2a2d36864761f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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