HRID176455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)CCN(CC(=O)NCC(C)(C)c1ccccc1)C(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1

HCID178500810

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CNC(=O)CN(CCC(=O)O)C(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1)c1ccccc1

HCID178449517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7453a5bab864877927fd6ae3fc37c86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[N:15]([CH2:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[CH2:22][C:23](=[O:24])[NH:25][CH2:26][C:27]([CH3:28])([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH3:35])[CH2:36][c:37]1[n:38][cH:39][nH:40][cH:41]1.[CH3:42][OH:43].[Na+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:45].[OH2:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[N:15]([CH2:16][CH2:17][C:18](=[O:19])[OH:20])[CH2:22][C:23](=[O:24])[NH:25][CH2:26][C:27]([CH3:28])([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH3:35])[CH2:36][c:37]1[n:38][cH:39][nH:40][cH:41]1