HRID199273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1ccc(NC(=O)CCC(=O)N2CCC(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3cccc(F)c3)C2)cc1

HCID178498176

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CCN(C(=O)CCC(=O)Nc2ccc(C(=O)O)cc2)CC1c1cccc(F)c1)C(=O)OC(C)(C)C

HCID178435697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4219227f30014004b20a3b662a4f2c65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:45]2[cH:46][c:47]([F:51])[cH:48][cH:49][cH:50]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43]2)=[O:44])[CH2:26][CH2:27]1.[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:66][OH:67].[Na+:53].[OH-:52].[OH2:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:45]2[cH:46][c:47]([F:51])[cH:48][cH:49][cH:50]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:42][cH:43]2)=[O:44])[CH2:26][CH2:27]1