Methanol → HCID 178492654, compound

HRID 2334117Notes

Reaction equation

HRID 2334117 reaction equation
[CH3:55][CH:56]([CH3:57])[CH2:58][CH:59]([OH:60])[CH3:61].[CH3:62][OH:63].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([CH3:18])([CH3:19])[C:7](=[O:20])[NH:6]2.[NH2:21][c:22]1[c:23]([O:41][CH3:42])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH:31]3[CH2:32][CH2:33][CH2:34][CH:35]([CH2:36]2)[N:37]3[CH3:38])[cH:39][cH:40]1.[OH2:43].[OH2:64].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[c:2]1([NH:21][c:22]2[c:23]([O:41][CH3:42])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]3[CH2:30][CH:31]4[CH2:32][CH2:33][CH2:34][CH:35]([CH2:36]3)[N:37]4[CH3:38])[cH:39][cH:40]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([CH3:18])([CH3:19])[C:7](=[O:20])[NH:6]2

Participants

7

Reactant 6

HCID 887MethanolHCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 581540122-Chloro-9-cyclopentyl-7,7-dimethyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-oneHCID 67159900HCID 67159900, compound

Product 1

HCID 178492654HCID 178492654, compound

Sources & evidence

ORD record
ord-301144622b7a40c3aa97a7c96c6df9e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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