HRID670540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID100116

未命名化合物

HCID4641409

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

C10H15N6O+

HCID77304912

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc(C(C)NC(=O)C(NC(=O)OC(C)(C)C)C(C)O)nc2)cn1

HCID77492539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ecf221534134bbb91a65c216fc77806
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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