HRID1139580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(N(C)CCNC(=O)OC(C)(C)C)COc1ccccc1-3

HCID178497226

未命名化合物

PRODUCTS

生成物

结构：CN(CCNC(=O)OC(C)(C)C)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

HCID178484358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3378335a7a194cc495742998c4680c94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][N:14]([CH:15]1[CH2:16][O:17][c:18]2[c:19]([cH:40][cH:41][cH:42][cH:43]2)-[c:20]2[n:21]([c:23]3[cH:24][c:25]([C:36](=[O:37])[O:38][CH3:39])[cH:26][cH:27][c:28]3[c:29]2[CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:22]1)[CH3:44].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:45][OH:46].[Li+:3].[OH-:2].[OH2:1].[OH2:52]>>[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][N:14]([CH:15]1[CH2:16][O:17][c:18]2[c:19]([cH:40][cH:41][cH:42][cH:43]2)-[c:20]2[n:21]([c:23]3[cH:24][c:25]([C:36](=[O:37])[OH:38])[cH:26][cH:27][c:28]3[c:29]2[CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:22]1)[CH3:44]