HRID671156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5323842

Phenol, 4-(2-aminoethyl)-2-bromo-

C8H10BrNO

结构：CC(C)(C)OC(=O)NCCCN(Cc1cccc(-c2ccnc(Cl)n2)c1)S(C)(=O)=O

HCID86603242

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Br)c3)n2)c1)S(C)(=O)=O

HCID58603477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-549c90d6f78d4a0d914ebe5efce3d1c7
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

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