HRID1560591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8077

Diethyl disulphide

C4H10S2

HCID178418339

Butyllithium

C4H9Li

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3ccc(COCCO)nc3N12

HCID178430766

未命名化合物

PRODUCTS

生成物

结构：CCSc1ccc2c(n1)N1C(C)CN(C(=O)OC(C)(C)C)CC1C2

HCID69357223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8415e4a3414140c798d1b38fbc7a6cbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]1[CH2:14][CH:15]2[CH2:16][c:17]3[cH:18][cH:19][c:20]([CH2:27][O:28][CH2:29][CH2:30][OH:31])[n:21][c:22]3[N:23]2[CH:24]([CH3:26])[CH2:25]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:32]([CH3:33])[S:34][S:35][CH2:36][CH3:37].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:39][C:40](=[O:41])[O-:42].[CH3:48][OH:49].[NH4+:38].[OH2:50]>>[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]1[CH2:14][CH:15]2[CH2:16][c:17]3[cH:18][cH:19][c:20]([S:34][CH2:32][CH3:33])[n:21][c:22]3[N:23]2[CH:24]([CH3:26])[CH2:25]1