HRID319126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7504

Benzylamine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID28486

Lithium ion

Li+

HCID130500

未命名化合物

结构：CCOC(=O)c1oc(N2CCN(C(=O)OC(C)(C)C)CC2COc2cccnc2)nc1C

HCID59671499

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2COc2cccnc2)oc1C(=O)NCc1ccccc1

HCID59671517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4bcbd4de3224101bd4480eec4e3eb26
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

[B-:50]([F:51])([F:52])([F:53])[F:54].[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH:12]([CH2:27][O:28][c:29]2[cH:30][n:31][cH:32][cH:33][cH:34]2)[N:13]([c:16]2[o:17][c:18]([C:22]([O:24][CH2:23][CH3:25])=[O:26])[c:19]([CH3:21])[n:20]2)[CH2:14][CH2:15]1.[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:77][OH:78].[Li+:1].[NH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[OH-:2].[OH2:79].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH:12]([CH2:27][O:28][c:29]2[cH:30][n:31][cH:32][cH:33][cH:34]2)[N:13]([c:16]2[o:17][c:18]([C:22](=[O:24])[NH:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:19]([CH3:21])[n:20]2)[CH2:14][CH2:15]1