HRID1132216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2735647

1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid

C11H19NO4

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(CN)cnc32)cc1

HCID58009892

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(CNC(=O)C4CCCN(C(=O)OC(C)(C)C)C4)cnc32)cc1

HCID67217108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-831da7e7e20344ce90d277354688d743
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:32](=[O:33])([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[N:39]1[CH2:40][CH:41]([C:45](=[O:46])[OH:47])[CH2:42][CH2:43][CH2:44]1.[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:72][CH2:73][Cl:74].[ClH:1].[OH2:75].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][cH:7][c:8]([CH3:9])[cH:10][cH:11]1)[n:12]1[cH:13][cH:14][c:15]2[c:16]1[n:17][cH:18][c:19]([CH2:21][NH2:22])[n:20]2.[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][cH:7][c:8]([CH3:9])[cH:10][cH:11]1)[n:12]1[cH:13][cH:14][c:15]2[c:16]1[n:17][cH:18][c:19]([CH2:21][NH:22][C:45]([CH:41]1[CH2:40][N:39]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:44][CH2:43][CH2:42]1)=[O:46])[n:20]2