HRID194609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(N3CCCC3C(=O)O)cc1OCC2

HCID76702042

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(N3CCCC3C(N)=O)cc1OCC2

HCID178456677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52ba71b6416f4963990de0b878a9b226
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

[CH3:38][N+:39]([CH3:40])=[C:41]([N:42]([CH3:43])[CH3:44])[O:45][n:46]1[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1.[CH3:66][N:67]([CH3:68])[C:69](=[O:70])[CH3:71].[CH3:72][S:73]([CH3:74])=[O:75].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:30]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([N:22]2[CH:23]([C:27](=[O:28])[OH:29])[CH2:24][CH2:25][CH2:26]2)[cH:21]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl-:64].[F:31][P-:32]([F:33])([F:34])([F:35])([F:36])[F:37].[NH4+:65]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:30]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([N:22]2[CH:23]([C:27](=[O:28])[NH2:39])[CH2:24][CH2:25][CH2:26]2)[cH:21]1