HRID149972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID137980

Thiazole, 5-methyl-

C4H5NS

结构：CCCCCCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(CBr)c2)cc1

HCID10481690

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CCCCCCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C[n+]3csc(C)c3)c2)cc1

HCID10461484

5-Methyl-3-[[3-[[[[4-(tetradecyloxy)phenyl]amino]carbonyl]amino]phenyl]methyl]thiazolium

C32H46N3O2S+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76283e7b910e4bde9d01706f4a8a4ab3
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:1][CH2:2][c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[cH:17][cH:18]2)[cH:6][cH:7][cH:8]1.[CH3:34][c:35]1[cH:36][n:37][cH:38][s:39]1.[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[cH:17][cH:18]2)[cH:6][cH:7][cH:8]1)[n+:37]1[cH:36][c:35]([CH3:34])[s:39][cH:38]1