HRID314457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1068

Dimethyl sulfide

C2H6S

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c(Cc4ccccc4)cn(C(=O)OC(C)(C)C)c23)CC1

HCID68585750

未命名化合物

HCID178418400

未命名化合物

PRODUCTS

生成物

结构：CSc1c(Cc2ccccc2)c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1C(=O)OC(C)(C)C

HCID68588019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-806b45fc9bfe485dbd5ba9229e9ac879
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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