HRID303902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

反应SMILES：CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(N)s3)CSC12

HCID13175945

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(NC(=O)CCl)s3)CSC12

HCID13319621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2f23ca4ebb3047f28a5f072cc9dfbee3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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