HRID662516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID14568

Sulfamido-3-chlorobenzoic acid

C7H6ClNO4S

HCID4641409

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

C10H15N6O+

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cc(F)cc(Cl)c2)CCNCC1

HCID69684965

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cc(F)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1

HCID54584064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10d1471fc5054a2084f021bccbbaccb3
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

[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[Cl:3][c:4]1[cH:5][c:6]([C:11]2([CH2:17][CH2:18][N:19]3[CH:20]4[CH2:21][CH:22]([n:27]5[c:28]([CH3:36])[n:29][c:30]6[c:31]5[cH:32][cH:33][cH:34][cH:35]6)[CH2:23][CH:24]3[CH2:25][CH2:26]4)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][c:8]([F:10])[cH:9]1.[Cl:44][c:45]1[c:46]([S:54]([NH2:55])(=[O:56])=[O:57])[cH:47][c:48]([C:49](=[O:50])[OH:51])[cH:52][cH:53]1.[ClH:1].[ClH:2].[OH2:87].[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[n:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[Cl:3][c:4]1[cH:5][c:6]([C:11]2([CH2:17][CH2:18][N:19]3[CH:20]4[CH2:21][CH:22]([n:27]5[c:28]([CH3:36])[n:29][c:30]6[c:31]5[cH:32][cH:33][cH:34][cH:35]6)[CH2:23][CH:24]3[CH2:25][CH2:26]4)[CH2:12][CH2:13][N:14]([C:49]([c:48]3[cH:47][c:46]([S:54]([NH2:55])(=[O:56])=[O:57])[c:45]([Cl:44])[cH:53][cH:52]3)=[O:50])[CH2:15][CH2:16]2)[cH:7][c:8]([F:10])[cH:9]1