HRID1136982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID2802863

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

C8H9F3N2

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1I

HCID71018565

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1-n1nc(C(F)(F)F)c2c1CCCC2

HCID178518750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b496c9947f5b4f4fb7fc40672389ea59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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