HRID1204589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

HCID58929005

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

HCID58928692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6cb687761f94698bdead4bbef2b9e46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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