HRID1240762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

反应SMILES：CN(C(=O)c1cc2c(s1)-c1ccc(Br)cc1OCC2)c1cc(C(=O)O)ccc1Cl

HCID56834372

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(C(=O)c2ccc(Cl)c(N(C)C(=O)c3cc4c(s3)-c3ccc(Br)cc3OCC4)c2)CC1

HCID56834373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3988d3594dc8465c80f07bad4a01566a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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