Ethanol → HCID 67237458, compound

HRID 196557Notes

Reaction equation

HRID 196557 reaction equation
[Br:37][CH2:38][CH2:39][N:40]=[C:41]=[O:42].[CH2:43]1[CH2:44][O:45][CH2:46][CH2:47][NH:48]1.[CH3:49][CH2:50][OH:51].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:25]1[CH2:26][CH:27]([CH2:29][NH:30][C:31](=[O:32])[NH:33][CH2:34][CH2:35][Br:36])[CH2:28]1)[cH:9][c:10]2-[c:11]1[cH:12][c:13]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:14][cH:15][cH:16]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:25]1[CH2:26][CH:27]([CH2:29][NH:30][C:31](=[O:32])[NH:33][CH2:34][CH2:35][N:48]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[CH2:28]1)[cH:9][c:10]2-[c:11]1[cH:12][c:13]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:14][cH:15][cH:16]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8083MorpholineHCID 42559572-Bromoethyl isocyanateHCID 69204267trans-{3-[4-Amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-3-(2-bromo-ethyl)-urea

Product 1

HCID 67237458HCID 67237458, compound

Sources & evidence

ORD record
ord-fd30eee1f4a54cb49cdc51c9f8e230dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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