HRID204232

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

HCID138440

Cyclopropaneacetic acid

C5H8O2

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CN)o2)cc1

HCID9997891

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CNC(=O)CC3CC3)o2)cc1

HCID11743420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c75339cdce9643ecbb285c20bbb2c1e8
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:1]1([CH2:4][C:5](=[O:6])[OH:7])[CH2:2][CH2:3]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[NH2:51][CH2:52][c:53]1[n:54][n:55][c:56](-[c:58]2[cH:59][cH:60][c:61](-[c:64]3[cH:65][c:66]([C:71](=[O:72])[NH:73][CH:74]4[CH2:75][CH2:76]4)[cH:67][cH:68][c:69]3[CH3:70])[cH:62][cH:63]2)[o:57]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1.[P-:8]([F:9])([F:10])([F:11])([F:12])([F:13])[F:14].[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[n:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH:1]1([CH2:4][C:5](=[O:7])[NH:51][CH2:52][c:53]2[n:54][n:55][c:56](-[c:58]3[cH:59][cH:60][c:61](-[c:64]4[cH:65][c:66]([C:71](=[O:72])[NH:73][CH:74]5[CH2:75][CH2:76]5)[cH:67][cH:68][c:69]4[CH3:70])[cH:62][cH:63]3)[o:57]2)[CH2:2][CH2:3]1