HRID666598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCN(CCCCNC(=O)OC(C)(C)C)CC2)c2cccnc2c1OCc1ccccc1

HCID68009254

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCN1CCN(c2nc(C(=O)NCc3ccc(F)cc3C(=O)O)c(OCc3ccccc3)c3ncccc23)CC1

HCID68009419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35744b28541c4c2dbbef291e6de39ae5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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