HRID1569483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(=O)Oc1cccc(C(=O)NC(Cc2ccccc2)C(O)C(=O)O)c1C

HCID21982334

未命名化合物

HCID58788518

未命名化合物

PRODUCTS

生成物

结构：C=CCNC(=O)C1N(C(=O)C(O)C(Cc2ccccc2)NC(=O)c2cccc(OC(C)=O)c2C)CSC1(C)C

HCID10482766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c63d9639ed4044f987d6ecd56a56f500
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:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH3:27])[c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([C:13](=[O:14])[OH:15])[OH:16])[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26]1.[CH2:28]([CH:29]=[CH2:30])[NH:31][C:32](=[O:33])[CH:34]1[NH:35][CH2:36][S:37][C:38]1([CH3:39])[CH3:40].[CH3:61][CH:62]1[CH2:63][CH2:64][CH2:65][O:66]1.[CH:52]([N:53]=[C:54]=[N:55][CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[OH2:51].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH3:27])[c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([C:13](=[O:14])[N:35]2[CH:34]([C:32]([NH:31][CH2:28][CH:29]=[CH2:30])=[O:33])[C:38]([CH3:39])([CH3:40])[S:37][CH2:36]2)[OH:16])[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26]1