HRID2161260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(C(NC(=O)OCc2ccccc2)C(=O)O)cc1C

HCID68798586

未命名化合物

HCID87579455

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1csc(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)OCc2ccccc2)c2ccc(OC)c(C)c2)n1

HCID87579998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb0610a6b58149d78e1371f0f7d0507b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][C:30](=[O:31])[NH:32][CH:33]([C:34](=[O:35])[OH:36])[c:37]1[cH:38][c:39]([CH3:45])[c:40]([O:43][CH3:44])[cH:41][cH:42]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH2:20])=[O:21])[s:8][cH:9]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[OH2:70].[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:34]([CH:33]([NH:32][C:30]([O:29][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:31])[c:37]2[cH:38][c:39]([CH3:45])[c:40]([O:43][CH3:44])[cH:41][cH:42]2)=[O:35])=[O:21])[s:8][cH:9]1