HRID2128121

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

HCID3776

Isopropanol

C3H8O

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID74404

2-Chloropyrimidine

C4H3ClN2

HCID57974132

未命名化合物

HCID67264368

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)N(C(C)=O)CCCO3)ncc1Cl

HCID66829663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bb64e546ec542559144ef70be07f099
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:35]12([CH2:36][S:37]([OH:38])(=[O:39])=[O:40])[C:41]([CH3:42])([CH3:43])[CH:44]([CH2:45][CH2:46]1)[CH2:47][C:48]2=[O:49].[C:50](=[O:51])([OH:52])[O-:53].[CH:62]([OH:63])([CH3:64])[CH3:65].[Cl:16][c:17]1[n:18][cH:19][c:20]([Cl:34])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][cH:31][cH:32][cH:33]2)[n:22]1.[Cl:55][c:56]1[n:57][cH:58][cH:59][cH:60][n:61]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[N:7]([C:12]([CH3:13])=[O:14])[CH2:8][CH2:9][CH2:10][O:11]2.[Na+:54].[OH2:66]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[N:7]([C:12]([CH3:13])=[O:14])[CH2:8][CH2:9][CH2:10][O:11]2)[c:17]1[n:18][cH:19][c:20]([Cl:34])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][cH:31][cH:32][cH:33]2)[n:22]1