Methanol → 3-(1-cyano-1-methylethyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-7-(hydroxymethyl)-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide

HRID 1235255Notes

Reaction equation

HRID 1235255 reaction equation
[BH4-:56].[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:12](=[O:13])[NH:14][c:15]2[cH:16][c:17]([O:18][c:19]3[c:20]([C:34](=[O:35])[O:36][CH3:37])[c:21]4[c:22]([n:23][c:24]([NH:26][C:27](=[O:28])[CH:29]5[CH2:30][CH2:31]5)[s:25]4)[cH:32][cH:33]3)[cH:38][cH:39][cH:40]2)[cH:9][cH:10][cH:11]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:63][OH:64].[Cl:48][C:49]([O:50][CH2:51][CH:52]([CH3:53])[CH3:54])=[O:55].[Na+:57].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:12](=[O:13])[NH:14][c:15]2[cH:16][c:17]([O:18][c:19]3[c:20]([CH2:34][OH:35])[c:21]4[c:22]([n:23][c:24]([NH:26][C:27](=[O:28])[CH:29]5[CH2:30][CH2:31]5)[s:25]4)[cH:32][cH:33]3)[cH:38][cH:39][cH:40]2)[cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28123BorohydrideHCID 62365Isobutyl chloroformateHCID 59454479Methyl 6-[3-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)phenoxy]-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazole-7-carboxylate

Product 1

HCID 594544653-(1-cyano-1-methylethyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-7-(hydroxymethyl)-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide

Sources & evidence

ORD record
ord-10508c91ff1846d283f4af000faadd2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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