HRID2313897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID55265572

未命名化合物

结构：CC(C)(C)OC(=O)N1C(Cc2ccc(C(=O)O)cc2)CCC1C(O)c1ccccc1

HCID77219274

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(Cc2ccc(C(=O)N3CCC4(CCOC4=O)CC3)cc2)CCC1C(O)c1ccccc1

HCID178451595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eef4825368945adb878ae5c3b656101
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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