HRID1535957

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+

反应SMILES：CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(C(=O)OC)N(Cc5cccc(C(F)(F)F)c5)C4)cc3)nc2n(CCC)c1=O

HCID57988786

未命名化合物

PRODUCTS

产物

反应SMILES：CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(C(=O)O)N(Cc5cccc(C(F)(F)F)c5)C4)cc3)nc2n(CCC)c1=O

HCID44236449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cff0b9446ee34b28ab09e1333c3a521a
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

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