HRID149238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C12CC1C=CCOCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(Oc3nccc4cc(OC)ccc34)CC1C(=O)N2

HCID68748249

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCOCCCC(NC(=O)OC(C)(C)C)C(=O)N4C3)nccc2c1

HCID68751301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bebeaf620f84a8ebed8e88fecfdb3b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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