HRID1227250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID854163

Methyl 4-((chlorocarbonyl)oxy)benzoate

C9H7ClO4

结构：CC(c1cccc2ccccc12)N(CC1CNCCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435712

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OC(=O)N2CCC(c3ccccc3)C(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C2)cc1

HCID178498293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfe10676271249288ffdcdac584b9c58
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

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