Acetate → HCID 77171600, compound

HRID 2138676Notes

Reaction equation

HRID 2138676 reaction equation
[C:49]([BH3-:50])#[N:51].[CH3:54][C:55](=[O:56])[O-:57].[CH3:64][OH:65].[Cl-:60].[Cl-:62].[Cl-:63].[NH4+:53].[NH4+:58].[Na+:52].[OH-:59].[OH:1][N:2]=[CH:3][CH:4]([CH3:5])[N:6]([C:7]([CH2:8][CH2:9][CH3:10])=[O:11])[CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[c:20](-[c:25]3[n:26][n:27][n:28][n:29]3[C:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:21][cH:22][cH:23][cH:24]2)[cH:17][cH:18]1.[Ti+3:61]>>[NH2:2][CH2:3][CH:4]([CH3:5])[N:6]([C:7]([CH2:8][CH2:9][CH3:10])=[O:11])[CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[c:20](-[c:25]3[n:26][n:27][n:28][n:29]3[C:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:21][cH:22][cH:23][cH:24]2)[cH:17][cH:18]1

Participants

10

Reactant 9

HCID 175AcetateHCID 223Ammonium2×HCID 312Chloride3×HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 498716Cyano-borohydrideHCID 5153393TiIIIHCID 178454512HCID 178454512, compound

Product 1

HCID 77171600HCID 77171600, compound

Sources & evidence

ORD record
ord-c241253b11fd41748a128c662c9e2005
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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