HRID673554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2735627

Benzene, 1-bromo-3-(methylthio)-

C7H7BrS

结构：CN(C)C1CCN(c2ccc(NC(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)cc2)C1

HCID67147946

未命名化合物

PRODUCTS

生成物

结构：CSc1cccc(C2=CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)c1

HCID58867779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-155de9706a214242895ba4363ae28690
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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