1-Butanol → Hydrochloric Acid

HRID 690860

Reaction equation

HRID 690860 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[Cl:25][CH2:26][CH2:27][n:28]1[c:29](=[O:39])[nH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[c:37]1=[O:38].[ClH:2].[ClH:47].[F:3][c:4]1[cH:5][cH:6][c:7]([NH:10][CH:11]([CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[cH:8][cH:9]1.[I-:46].[K+:45].[Na+:44].[OH2:1]>>[ClH:25].[ClH:2].[F:3][c:4]1[cH:5][cH:6][c:7]([NH:10][CH:11]([CH:12]2[CH2:13][CH2:14][N:15]([CH2:26][CH2:27][n:28]3[c:29](=[O:39])[nH:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[c:37]3=[O:38])[CH2:16][CH2:17]2)[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[cH:8][cH:9]1

Participants

11

Reactant 9

HCID 2631-ButanolHCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 30165Iodide IonHCID 787663-(2-chloroethyl)(1H,3H)quinazoline-2,4-dioneHCID 19771957N,alpha-bis(4-fluorophenyl)-4-piperidinemethanamine

Product 2

HCID 313Hydrochloric Acid2×HCID 19772050HCID 19772050, compound

Sources & evidence

ORD record
ord-61d453458e7b48fdbee5c5db821d92d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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