HRID187084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID59593265

未命名化合物

反应SMILES：CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1

HCID59593275

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C(O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)cn1

HCID59593292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f61448a09ffb406a949f88ffbae9f2d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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