Formaldehyde → HCID 136464405, compound

HRID 97408Notes

Reaction equation

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

Participants

Reactant 6

HCID 712Formaldehyde

HCID 887Methanol

HCID 923Sodium ion

HCID 63651,1-Dichloroethane

HCID 2724942Triacetoxyborohydride

HCID 1364643694-[3-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(trifluoromethyl)-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine

Product 1

HCID 136464405HCID 136464405, compound

Sources & evidence

ORD record: ord-894cf478e46d45a0bb32dc2ffa0e94a3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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