HRID809048

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

HCID593814

3,4,5-Trifluorobenzonitrile

C7H2F3N

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：CC(c1cccc2ccccc12)N(CC1CN(c2c(F)cc(C#N)cc2F)CCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ab8d7035cc4ce68c3ec013560e9418
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

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:45](=[O:46])([O-:47])[O-:48].[CH3:52][S:53]([CH3:54])=[O:55].[F:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([F:44])[c:42]1[F:43].[K+:49].[K+:50].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH2:10][N:11]([c:42]2[c:35]([F:34])[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]2[F:44])[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]