Benzylamine → Tirbanibulin

HRID 1124683Notes

Reaction equation

HRID 1124683 reaction equation
[CH3:27][O:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[NH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[n:20][cH:21]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][C:23](=[O:24])[NH:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[n:20][cH:21]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 7504BenzylamineHCID 7519AnisoleHCID 8900HeptaneHCID 44185422Methyl 2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)acetate

Product 1

HCID 23635314Tirbanibulin

Sources & evidence

ORD record
ord-f5d7e97882304d80856a712c285bed67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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