Hydrochloric Acid → Hydrochloric Acid

HRID 141959Notes

Reaction equation

HRID 141959 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:61][OH:62].[CH:63]([Cl:64])([Cl:65])[Cl:66].[Cl:58][CH2:59][Cl:60].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH:5]([OH:24])[CH2:6][N:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:23])[cH:14][cH:15][c:16]3[n:17][cH:18][c:19]([F:22])[cH:20][c:21]23)[CH2:8][CH2:9]1.[Na+:57].[O:32]1[CH2:33][CH2:34][O:35][c:36]2[cH:37][n:38][c:39]([CH:42]=[O:43])[cH:40][c:41]21>>[ClH:1].[NH:3]([CH:4]1[CH:5]([OH:24])[CH2:6][N:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:23])[cH:14][cH:15][c:16]3[n:17][cH:18][c:19]([F:22])[cH:20][c:21]23)[CH2:8][CH2:9]1)[CH2:42][c:39]1[n:38][cH:37][c:36]2[c:41]([cH:40]1)[O:32][CH2:33][CH2:34][O:35]2

Participants

11

Reactant 9

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 6212ChloroformHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 218736682,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeHCID 76821589HCID 76821589, compound

Product 2

HCID 313Hydrochloric AcidHCID 178515748HCID 178515748, compound

Sources & evidence

ORD record
ord-011db479fdb242b5870539caf8086fea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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