HRID1553363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID80407

4-Methoxybenzenemethanethiol

C8H10OS

结构：CC(C)CC(C(=O)OC(C)(C)C)N1Cc2ccccc2CC(NC(=O)C(Br)CCCCN2C(=O)c3ccccc3C2=O)C1=O

HCID53884767

2-(4-(2-Bromo-6-phthalimidohexanoyl-amino)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl)-4-methyl-valeric acid t-butyl ester

C34H42BrN3O6

PRODUCTS

生成物

结构：COc1ccc(CSC(CCCCN2C(=O)c3ccccc3C2=O)C(=O)NC2Cc3ccccc3CN(C(CC(C)C)C(=O)OC(C)(C)C)C2=O)cc1

HCID53867609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a816e9c00c646eaab97d0ce5f5af7fa
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

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([CH:17]([CH2:18][CH:19]([CH3:20])[CH3:21])[N:22]1[CH2:23][c:24]2[c:25]([cH:50][cH:51][cH:52][cH:53]2)[CH2:26][CH:27]([NH:30][C:31]([CH:32]([CH2:33][CH2:34][CH2:35][CH2:36][N:37]2[C:38](=[O:47])[c:39]3[c:40]([cH:43][cH:44][cH:45][cH:46]3)[C:41]2=[O:42])[Br:48])=[O:49])[C:28]1=[O:29])=[O:54].[CH2:61]([N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH3:77].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][SH:8])[cH:9][cH:10]1.[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[I-:60]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:32]([C:31]([NH:30][CH:27]2[CH2:26][c:25]3[c:24]([cH:53][cH:52][cH:51][cH:50]3)[CH2:23][N:22]([CH:17]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:54])[CH2:18][CH:19]([CH3:20])[CH3:21])[C:28]2=[O:29])=[O:49])[CH2:33][CH2:34][CH2:35][CH2:36][N:37]2[C:38](=[O:47])[c:39]3[c:40]([cH:43][cH:44][cH:45][cH:46]3)[C:41]2=[O:42])[cH:9][cH:10]1