HRID1561876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID75222

Benzaldehyde, 4-hydroxy-3,5-dimethyl-

C9H10O2

HCID9845922

未命名化合物

HCID54536208

2-O-[4-(bromomethyl)-2,6-dimethylphenyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate

C19H26BrNO4

PRODUCTS

产物

HCID259

Bromide

Br-

HCID21844098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-481493a0f474409faa2f696804a2f9e8
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

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