Hydrochloric Acid → Hydrochloric Acid

HRID 88932Notes

Reaction equation

HRID 88932 reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:53][OH:54].[CH:49]([Cl:50])([Cl:51])[Cl:52].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:24])[n:14][n:15][c:16]3[c:17]2[cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[CH2:8][CH2:9]1.[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[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[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:24])[n:14][n:15][c:16]3[c:17]2[cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[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

10

Reactant 8

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6212ChloroformHCID 8471TriethylamineHCID 218736682,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeHCID 68992728HCID 68992728, compound

Product 2

HCID 313Hydrochloric AcidHCID 250327874-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,2,4-benzotriazin-3-one

Sources & evidence

ORD record
ord-c7c232be7f634e2e82454a77b6de2c7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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