HRID92519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7528

Solketal

C6H12O3

HCID78925

Methylthioethanol

C3H8OS

结构：CC1(C)CCN(c2cc(O)cc(-c3cnc4c(n3)c(C(=O)C(C)(C)C)cn4COCC[Si](C)(C)C)c2)C1

HCID59540579

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCN(c2cc(OCC3COC(C)(C)O3)cc(-c3cnc4c(n3)c(C(=O)C(C)(C)C)cn4COCC[Si](C)(C)C)c2)C1

HCID59540998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3ff7bc315ef46af9a2f338e725b6513
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

[CH3:1][C:2]1([CH3:37])[CH2:3][N:4]([c:7]2[cH:8][c:9](-[c:14]3[n:15][c:16]4[c:17]([n:18][cH:19]3)[n:20]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[cH:21][c:22]4[C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:10][c:11]([OH:13])[cH:12]2)[CH2:5][CH2:6]1.[CH3:38][C:39]1([CH3:46])[O:40][CH2:41][CH:42]([CH2:44][OH:45])[O:43]1.[CH3:47][S:48][CH2:49][CH2:50][OH:51]>>[CH3:1][C:2]1([CH3:37])[CH2:3][N:4]([c:7]2[cH:8][c:9](-[c:14]3[n:15][c:16]4[c:17]([n:18][cH:19]3)[n:20]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[cH:21][c:22]4[C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:10][c:11]([O:13][CH2:44][CH:42]3[CH2:41][O:40][C:39]([CH3:38])([CH3:46])[O:43]3)[cH:12]2)[CH2:5][CH2:6]1