HRID166234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2763209

2-Bromo-4-thiazolecarboxylic acid

C4H2BrNO2S

HCID4641409

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

C10H15N6O+

HCID67130164

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCN(c2ccncc2NC(=O)c2csc(Br)n2)C1

HCID67501061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61a5f9a365af47bfabc897603f44af32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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