HRID89854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1567

2-Mercaptoethanol

C2H6OS

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

结构：CCOC(=O)N1c2ccc(OC)nc2C(c2ncc(I)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1(N)CC

HCID142684731

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1c2ccc(OC)nc2C(c2ncc(SCCO)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1(N)CC

HCID178473235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa84f5dba39143b183de310055e477d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[C:7]([CH2:40][CH3:41])([NH2:42])[CH2:8][CH:9]([c:18]2[n:19][cH:20][c:21]([I:39])[c:22]([CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[n:23]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21.[CH:57]([OH:58])([CH3:59])[CH3:60].[Cu:61]([I:62])[I:63].[K+:55].[K+:56].[OH2:64].[OH:47][CH2:48][CH2:49][OH:50].[SH:43][CH2:44][CH2:45][OH:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[C:7]([CH2:40][CH3:41])([NH2:42])[CH2:8][CH:9]([c:18]2[n:19][cH:20][c:21]([S:43][CH2:44][CH2:45][OH:46])[c:22]([CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[n:23]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21