HRID146929

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

HCID57416062

8-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

C12H16N2O

结构：N#CCCOc1cc(N2CCOCC2)ccc1Nc1nc(Cl)ncc1Cl

HCID86634064

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC(=O)Nc2cc(Nc3ncc(Cl)c(Nc4ccc(N5CCOCC5)cc4OCCC#N)n3)ccc21

HCID66830686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21b6b52b095f4dfab67660c6186991f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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