HRID2150476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID7914

Isopropyl ether

C6H14O

HCID8454

N-Methylpyrrolidine

C5H11N

HCID10336591

N-ethylazetidin-3-amine

C5H12N2

结构：Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Br)c32)c(F)cc1F

HCID15486977

未命名化合物

PRODUCTS

生成物

结构：CCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2Br)C1

HCID9958049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92cf9cf4248f406198e168e36b126a4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH3:2])[NH:3][CH:4]1[CH2:5][NH:6][CH2:7]1.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[CH3:47][S:48]([CH3:49])=[O:50].[CH:40]([O:41][CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[NH2:8][c:9]1[c:10]([F:33])[cH:11][c:12]([F:32])[c:13](-[n:15]2[cH:16][c:17]([C:29](=[O:30])[OH:31])[c:18](=[O:28])[c:19]3[cH:20][c:21]([F:27])[c:22]([F:26])[c:23]([Br:25])[c:24]23)[n:14]1>>[CH2:1]([CH3:2])[NH:3][CH:4]1[CH2:5][N:6]([c:22]2[c:21]([F:27])[cH:20][c:19]3[c:18](=[O:28])[c:17]([C:29](=[O:30])[OH:31])[cH:16][n:15](-[c:13]4[c:12]([F:32])[cH:11][c:10]([F:33])[c:9]([NH2:8])[n:14]4)[c:24]3[c:23]2[Br:25])[CH2:7]1