Hydrogen Bromide → HCID 16036676, compound

HRID 1206896Notes

Reaction equation

HRID 1206896 reaction equation
[BrH:60].[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH2:18]([CH3:19])[N:20]([CH2:21][CH2:22][N:23]([C:24]([CH2:25][CH2:26][O:27][CH2:28][CH2:29][c:30]1[cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[cH:38][cH:39]1)=[O:40])[CH2:41][CH:42]=[O:43])[CH2:44][CH3:45].[CH3:61][N:62]1[CH2:63][CH2:64][CH2:65][C:66]1=[O:67].[CH3:68][OH:69].[CH3:73][CH2:74][OH:75].[Cl:70][CH2:71][Cl:72].[ClH:1].[NH2:2][CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([OH:15])[c:9]2[nH:10][c:11](=[O:14])[s:12][c:13]12.[Na+:17].[Na+:59].[OH-:16].[OH2:76]>>[NH:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([OH:15])[c:9]2[nH:10][c:11](=[O:14])[s:12][c:13]12)[CH2:42][CH2:41][N:23]([CH2:22][CH2:21][N:20]([CH2:18][CH3:19])[CH2:44][CH3:45])[C:24]([CH2:25][CH2:26][O:27][CH2:28][CH2:29][c:30]1[cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[cH:38][cH:39]1)=[O:40]

Participants

13

Reactant 12

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 108567447-(2-Aminoethyl)benzo[d]thiazole-2,4-diolHCID 86625183HCID 86625183, compound

Product 1

HCID 16036676HCID 16036676, compound

Sources & evidence

ORD record
ord-9fee4f94e2a0412596762bd4700b0a52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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