HRID1570249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID53167

1-Methylpiperazine

C5H12N2

HCID4641409

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

C10H15N6O+

结构：COc1ccc2cccnc2c1N1CCCN(C(CC(=O)O)c2csc(N3CCC(O)CC3)n2)CC1

HCID59366189

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cccnc2c1N1CCCN(C(CC(=O)N2CCN(C)CC2)c2csc(N3CCC(O)CC3)n2)CC1

HCID59366181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d6f19c839304ae4ad9c435e0e32f7e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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