HRID304428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1ccc(OCCCON=Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID90718552

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(OCCCON=Cc2ccc(-c3ccccc3)cc2)ccc1C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID72832114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcc5c916eac54a63b2be6e9648f0b7cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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