HRID1223940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID2763213

Methyl 2-bromothiazole-4-carboxylate

C5H4BrNO2S

结构：CC(c1cccc2ccccc12)N(CC1CCNCC1c1ccccc1)C(=O)OC(C)(C)C

HCID72536010

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1csc(N2CCC(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3ccccc3)C2)n1

HCID178499002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f29d143a33cb4ab281477677b7ce3435
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

[Br:34][c:35]1[s:36][cH:37][c:38]([C:40](=[O:41])[O:42][CH3:43])[n:39]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH:10]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:11][NH:12][CH2:13][CH2:14]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:44](=[O:45])([O-:46])[O-:47].[CH3:50][S:51]([CH3:52])=[O:53].[K+:48].[K+:49].[OH2:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH:10]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:11][N:12]([c:35]2[s:36][cH:37][c:38]([C:40](=[O:41])[O:42][CH3:43])[n:39]2)[CH2:13][CH2:14]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]