HRID165387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11423880

3-(1-methylimidazolin-2-yl)phenol

C10H12N2O

结构：CCOC(=O)C(C)(C)N(C)c1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

HCID21198337

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)N(C)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

HCID15434877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb7b6d1b158e4376a29491b52fc1611e
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:50](=[O:51])([O-:52])[O-:53].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:17][c:18]2[n:19][c:20]([F:36])[c:21]([F:35])[c:22]([N:25]([C:26]([CH3:27])([CH3:28])[C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[c:23]2[F:24])[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]1.[CH3:37][N:38]1[C:39]([c:43]2[cH:44][c:45]([OH:49])[cH:46][cH:47][cH:48]2)=[N:40][CH2:41][CH2:42]1.[CH3:57][S:58]([CH3:59])=[O:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cs+:54].[Cs+:55].[OH2:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:17][c:18]2[n:19][c:20]([O:49][c:45]3[cH:44][c:43]([C:39]4=[N:40][CH2:41][CH2:42][N:38]4[CH3:37])[cH:48][cH:47][cH:46]3)[c:21]([F:35])[c:22]([N:25]([C:26]([CH3:27])([CH3:28])[C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[c:23]2[F:24])[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]1